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a tool for identifying drug-targetable redox-active disulphides

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5,6-dihydroxyindole-2-carboxylic acid oxidase

Intramolecular
Cysteine 113 and cysteine 122
Cysteine 258 and cysteine 261
Cysteine 101 and cysteine 110
Cysteine 290 and cysteine 303
Cysteine 42 and cysteine 65
Cysteine 56 and cysteine 99
Cysteine 30 and cysteine 41
Cysteine 42 and cysteine 56
Cysteine 56 and cysteine 65
Cysteine 99 and cysteine 110
More...
Cysteine 42 and cysteine 99
Cysteine 56 and cysteine 110
Cysteine 65 and cysteine 99
Cysteine 99 and cysteine 101
Cysteine 56 and cysteine 101
Cysteine 41 and cysteine 99
Cysteine 30 and cysteine 99
Cysteine 30 and cysteine 42
Cysteine 41 and cysteine 42
Cysteine 101 and cysteine 122
Cysteine 30 and cysteine 56
Cysteine 30 and cysteine 65
Cysteine 41 and cysteine 65
Cysteine 42 and cysteine 110
Cysteine 41 and cysteine 56
Cysteine 110 and cysteine 122
Cysteine 101 and cysteine 113
Cysteine 65 and cysteine 110
Cysteine 42 and cysteine 101
A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 113 and 122.

Details

Redox score ?
87
PDB code
5m8o
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tropolone
Structure deposition date
2016-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
113
Residue number B
122
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 113 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 122 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 258 and 261.

Details

Redox score ?
86
PDB code
5m8q
Structure name
crystal structure of human tyrosinase related protein 1 mutant (t391v- r374s-y362f) in complex with kojic acid
Structure deposition date
2016-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
258
Residue number B
261
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 258 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 261 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 101 and 110.

Details

Redox score ?
83
PDB code
5m8r
Structure name
crystal structure of human tyrosinase related protein 1 (t391v-r374s- y362f) in complex with mimosine
Structure deposition date
2016-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
101
Residue number B
110
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 101 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 110 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 290 and 303.

Details

Redox score ?
82
PDB code
5m8q
Structure name
crystal structure of human tyrosinase related protein 1 mutant (t391v- r374s-y362f) in complex with kojic acid
Structure deposition date
2016-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
290
Residue number B
303
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 290 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 303 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 42 and 65.

Details

Redox score ?
82
PDB code
5m8q
Structure name
crystal structure of human tyrosinase related protein 1 mutant (t391v- r374s-y362f) in complex with kojic acid
Structure deposition date
2016-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
42
Residue number B
65
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 42 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 65 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 56 and 99.

Details

Redox score ?
82
PDB code
5m8o
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tropolone
Structure deposition date
2016-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
56
Residue number B
99
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 56 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 99 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 30 and 41.

Details

Redox score ?
81
PDB code
5m8l
Structure name
crystal structure of human tyrosinase related protein 1
Structure deposition date
2016-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
30
Residue number B
41
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 30 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 41 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 42 and 56.

Details

Redox score ?
70
PDB code
5m8l
Structure name
crystal structure of human tyrosinase related protein 1
Structure deposition date
2016-10-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
42
Residue number B
56
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 42 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 56 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 56 and 65.

Details

Redox score ?
69
PDB code
5m8n
Structure name
crystal structure of human tyrosinase related protein 1 in complex with mimosine
Structure deposition date
2016-10-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
56
Residue number B
65
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 56 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 65 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 99 and 110.

Details

Redox score ?
69
PDB code
5m8n
Structure name
crystal structure of human tyrosinase related protein 1 in complex with mimosine
Structure deposition date
2016-10-29
Thiol separation (Å)
5
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
99
Residue number B
110
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 99 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 110 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 42 and 99.

Details

Redox score ?
67
PDB code
5m8o
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tropolone
Structure deposition date
2016-10-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
42
Residue number B
99
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 42 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 99 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 56 and 110.

Details

Redox score ?
66
PDB code
5m8n
Structure name
crystal structure of human tyrosinase related protein 1 in complex with mimosine
Structure deposition date
2016-10-29
Thiol separation (Å)
5
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
56
Residue number B
110
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 56 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 110 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 65 and 99.

Details

Redox score ?
61
PDB code
5m8l
Structure name
crystal structure of human tyrosinase related protein 1
Structure deposition date
2016-10-29
Thiol separation (Å)
6
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
65
Residue number B
99
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 65 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 99 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 99 and 101.

Details

Redox score ?
60
PDB code
5m8o
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tropolone
Structure deposition date
2016-10-29
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
99
Residue number B
101
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 99 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 101 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 56 and 101. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
5m8n
Structure name
crystal structure of human tyrosinase related protein 1 in complex with mimosine
Structure deposition date
2016-10-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
56
Residue number B
101
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 56 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 101 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 41 and 99. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5m8s
Structure name
crystal structure of human tyrosinase related protein 1 mutant (t391v- r374s-y362f) in complex with phenylthiourea (ptu)
Structure deposition date
2016-10-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
41
Residue number B
99
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 41 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 99 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 30 and 99. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
5m8s
Structure name
crystal structure of human tyrosinase related protein 1 mutant (t391v- r374s-y362f) in complex with phenylthiourea (ptu)
Structure deposition date
2016-10-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
30
Residue number B
99
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 30 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 99 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 30 and 42. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
5m8l
Structure name
crystal structure of human tyrosinase related protein 1
Structure deposition date
2016-10-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
30
Residue number B
42
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 30 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 42 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 41 and 42. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
5m8q
Structure name
crystal structure of human tyrosinase related protein 1 mutant (t391v- r374s-y362f) in complex with kojic acid
Structure deposition date
2016-10-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
41
Residue number B
42
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 41 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 42 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 101 and 122. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5m8n
Structure name
crystal structure of human tyrosinase related protein 1 in complex with mimosine
Structure deposition date
2016-10-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
101
Residue number B
122
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 101 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 122 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 30 and 56. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5m8r
Structure name
crystal structure of human tyrosinase related protein 1 (t391v-r374s- y362f) in complex with mimosine
Structure deposition date
2016-10-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
30
Residue number B
56
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 30 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 56 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 30 and 65. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5m8p
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tyrosine
Structure deposition date
2016-10-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
30
Residue number B
65
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 30 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 65 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 41 and 65. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5m8t
Structure name
crystal structure of human tyrosinase related protein 1 (t391v-r374s- y362f) in complex with tropolone
Structure deposition date
2016-10-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
41
Residue number B
65
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 41 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 65 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 42 and 110. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
5m8p
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tyrosine
Structure deposition date
2016-10-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
42
Residue number B
110
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 42 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 110 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 41 and 56. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
5m8n
Structure name
crystal structure of human tyrosinase related protein 1 in complex with mimosine
Structure deposition date
2016-10-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
41
Residue number B
56
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 41 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 56 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 110 and 122. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5m8o
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tropolone
Structure deposition date
2016-10-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
110
Residue number B
122
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 110 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 122 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 101 and 113. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5m8p
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tyrosine
Structure deposition date
2016-10-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
101
Residue number B
113
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 101 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 113 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 65 and 110. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5m8m
Structure name
crystal structure of human tyrosinase related protein 1 in complex with kojic acid
Structure deposition date
2016-10-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
65
Residue number B
110
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 65 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 110 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 5,6-dihydroxyindole-2-carboxylic acid oxidase between cysteines 42 and 101. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
5m8o
Structure name
crystal structure of human tyrosinase related protein 1 in complex with tropolone
Structure deposition date
2016-10-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17643
Residue number A
42
Residue number B
101
Peptide name
5,6-dihydroxyindole-2-carboxylic acid oxidase

Ligandability

Cysteine 42 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 101 of 5,6-dihydroxyindole-2-carboxylic acid oxidase

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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