ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

C-C motif chemokine 1

Intermolecular
Cysteine 33 and cysteine 33
Cysteine 57 and cysteine 33
Cysteine 57 and cysteine 57
Intramolecular
Cysteine 49 and cysteine 91
Cysteine 34 and cysteine 73
Cysteine 34 and cysteine 57
Cysteine 33 and cysteine 34
Cysteine 57 and cysteine 73
Cysteine 33 and cysteine 73
A redox-regulated disulphide may form between two units of C-C motif chemokine 1 at cysteines 33 and 33 (11 and 11 respectively in this structure).

Details

Redox score ?
70
PDB code
4oik
Structure name
(quasi-)racemic x-ray crystal structure of glycosylated chemokine ser- ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 1
Peptide B name
C-C motif chemokine 1
Peptide A accession
P22362
Peptide B accession
P22362
Peptide A residue number
33
Peptide B residue number
33

Ligandability

A redox-regulated disulphide may form between two units of C-C motif chemokine 1 at cysteines 57 and 33 (35 and 11 respectively in this structure).

Details

Redox score ?
62
PDB code
4oik
Structure name
(quasi-)racemic x-ray crystal structure of glycosylated chemokine ser- ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
6
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 1
Peptide B name
C-C motif chemokine 1
Peptide A accession
P22362
Peptide B accession
P22362
Peptide A residue number
57
Peptide B residue number
33

Ligandability

Cysteine 57 of C-C motif chemokine 1

Cysteine 33 of C-C motif chemokine 1

A redox-regulated disulphide may form between two units of C-C motif chemokine 1 at cysteines 57 and 57 (35 and 35 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
4oik
Structure name
(quasi-)racemic x-ray crystal structure of glycosylated chemokine ser- ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 1
Peptide B name
C-C motif chemokine 1
Peptide A accession
P22362
Peptide B accession
P22362
Peptide A residue number
57
Peptide B residue number
57

Ligandability

A redox-regulated disulphide may form within C-C motif chemokine 1 between cysteines 49 and 91 (27 and 69 respectively in this structure).

Details

Redox score ?
85
PDB code
4oik
Structure name
(quasi-)racemic x-ray crystal structure of glycosylated chemokine ser- ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P22362
Residue number A
49
Residue number B
91
Peptide name
C-C motif chemokine 1

Ligandability

Cysteine 49 of C-C motif chemokine 1

Cysteine 91 of C-C motif chemokine 1

A redox-regulated disulphide may form within C-C motif chemokine 1 between cysteines 34 and 73 (12 and 51 respectively in this structure).

Details

Redox score ?
81
PDB code
4oik
Structure name
(quasi-)racemic x-ray crystal structure of glycosylated chemokine ser- ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P22362
Residue number A
34
Residue number B
73
Peptide name
C-C motif chemokine 1

Ligandability

Cysteine 34 of C-C motif chemokine 1

Cysteine 73 of C-C motif chemokine 1

A redox-regulated disulphide may form within C-C motif chemokine 1 between cysteines 34 and 57 (12 and 35 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
4oij
Structure name
x-ray crystal structure of racemic non-glycosylated chemokine ser-ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P22362
Residue number A
34
Residue number B
57
Peptide name
C-C motif chemokine 1

Ligandability

Cysteine 34 of C-C motif chemokine 1

Cysteine 57 of C-C motif chemokine 1

A redox-regulated disulphide may form within C-C motif chemokine 1 between cysteines 33 and 34 (11 and 12 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4oij
Structure name
x-ray crystal structure of racemic non-glycosylated chemokine ser-ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
P22362
Residue number A
33
Residue number B
34
Peptide name
C-C motif chemokine 1

Ligandability

Cysteine 33 of C-C motif chemokine 1

Cysteine 34 of C-C motif chemokine 1

A redox-regulated disulphide may form within C-C motif chemokine 1 between cysteines 57 and 73 (35 and 51 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
4oik
Structure name
(quasi-)racemic x-ray crystal structure of glycosylated chemokine ser- ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P22362
Residue number A
57
Residue number B
73
Peptide name
C-C motif chemokine 1

Ligandability

Cysteine 57 of C-C motif chemokine 1

Cysteine 73 of C-C motif chemokine 1

A redox-regulated disulphide may form within C-C motif chemokine 1 between cysteines 33 and 73 (11 and 51 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
4oik
Structure name
(quasi-)racemic x-ray crystal structure of glycosylated chemokine ser- ccl1
Structure deposition date
2014-01-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P22362
Residue number A
33
Residue number B
73
Peptide name
C-C motif chemokine 1

Ligandability

Cysteine 33 of C-C motif chemokine 1

Cysteine 73 of C-C motif chemokine 1

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