ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

C-C chemokine receptor type 9

Intramolecular
Cysteine 119 and cysteine 198
Cysteine 38 and cysteine 289
Cysteine 180 and cysteine 233
Cysteine 232 and cysteine 233
Cysteine 139 and cysteine 169
Cysteine 139 and cysteine 180
Cysteine 180 and cysteine 232
Cysteine 139 and cysteine 233
A redox-regulated disulphide may form within C-C chemokine receptor type 9 between cysteines 119 and 198.

Details

Redox score ?
89
PDB code
5lwe
Structure name
crystal structure of the human cc chemokine receptor type 9 (ccr9) in complex with vercirnon
Structure deposition date
2016-09-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P51686
Residue number A
119
Residue number B
198
Peptide name
C-C chemokine receptor type 9

Ligandability

Cysteine 119 of C-C chemokine receptor type 9

Cysteine 198 of C-C chemokine receptor type 9

Cysteine 198 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within C-C chemokine receptor type 9 between cysteines 38 and 289.

Details

Redox score ?
88
PDB code
5lwe
Structure name
crystal structure of the human cc chemokine receptor type 9 (ccr9) in complex with vercirnon
Structure deposition date
2016-09-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
38
Minimum pKa ?
nan
% buried
nan
Peptide accession
P51686
Residue number A
38
Residue number B
289
Peptide name
C-C chemokine receptor type 9

Ligandability

Cysteine 38 of C-C chemokine receptor type 9

Cysteine 289 of C-C chemokine receptor type 9

A redox-regulated disulphide may form within C-C chemokine receptor type 9 between cysteines 180 and 233 (141 and 233 respectively in this structure).

Details

Redox score ?
69
PDB code
5lwe
Structure name
crystal structure of the human cc chemokine receptor type 9 (ccr9) in complex with vercirnon
Structure deposition date
2016-09-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
9
% buried
96
Peptide accession
P51686
Residue number A
180
Residue number B
233
Peptide name
C-C chemokine receptor type 9

Ligandability

Cysteine 180 of C-C chemokine receptor type 9

Cysteine 233 of C-C chemokine receptor type 9

A redox-regulated disulphide may form within C-C chemokine receptor type 9 between cysteines 232 and 233. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
5lwe
Structure name
crystal structure of the human cc chemokine receptor type 9 (ccr9) in complex with vercirnon
Structure deposition date
2016-09-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
57
Minimum pKa ?
9
% buried
51
Peptide accession
P51686
Residue number A
232
Residue number B
233
Peptide name
C-C chemokine receptor type 9

Ligandability

Cysteine 232 of C-C chemokine receptor type 9

Cysteine 233 of C-C chemokine receptor type 9

A redox-regulated disulphide may form within C-C chemokine receptor type 9 between cysteines 139 and 169. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5lwe
Structure name
crystal structure of the human cc chemokine receptor type 9 (ccr9) in complex with vercirnon
Structure deposition date
2016-09-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
13
% buried
100
Peptide accession
P51686
Residue number A
139
Residue number B
169
Peptide name
C-C chemokine receptor type 9

Ligandability

Cysteine 139 of C-C chemokine receptor type 9

Cysteine 169 of C-C chemokine receptor type 9

A redox-regulated disulphide may form within C-C chemokine receptor type 9 between cysteines 139 and 180 (139 and 141 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5lwe
Structure name
crystal structure of the human cc chemokine receptor type 9 (ccr9) in complex with vercirnon
Structure deposition date
2016-09-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
9
% buried
100
Peptide accession
P51686
Residue number A
139
Residue number B
180
Peptide name
C-C chemokine receptor type 9

Ligandability

Cysteine 139 of C-C chemokine receptor type 9

Cysteine 180 of C-C chemokine receptor type 9

A redox-regulated disulphide may form within C-C chemokine receptor type 9 between cysteines 180 and 232 (141 and 232 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
5lwe
Structure name
crystal structure of the human cc chemokine receptor type 9 (ccr9) in complex with vercirnon
Structure deposition date
2016-09-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
55
Peptide accession
P51686
Residue number A
180
Residue number B
232
Peptide name
C-C chemokine receptor type 9

Ligandability

Cysteine 180 of C-C chemokine receptor type 9

Cysteine 232 of C-C chemokine receptor type 9

A redox-regulated disulphide may form within C-C chemokine receptor type 9 between cysteines 139 and 233. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
5lwe
Structure name
crystal structure of the human cc chemokine receptor type 9 (ccr9) in complex with vercirnon
Structure deposition date
2016-09-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
74
Minimum pKa ?
14
% buried
98
Peptide accession
P51686
Residue number A
139
Residue number B
233
Peptide name
C-C chemokine receptor type 9

Ligandability

Cysteine 139 of C-C chemokine receptor type 9

Cysteine 233 of C-C chemokine receptor type 9

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