ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

C-C motif chemokine 2

Intermolecular
Cysteine 34 and cysteine 34
Cysteine 34 and cysteine 59
Cysteine 38 of Evasin P974 and cysteine 75
Cysteine 177 of Carboxypeptidase O and cysteine 38
Cysteine 199 of Carboxypeptidase O and cysteine 38
Cysteine 32 of C-C chemokine receptor type 2 and cysteine 34
Cysteine 177 of Carboxypeptidase O and cysteine 27
Cysteine 38 of Evasin P974 and cysteine 35
Intramolecular
Cysteine 35 and cysteine 75
Cysteine 34 and cysteine 35
More...
Cysteine 35 and cysteine 59
Cysteine 59 and cysteine 75
Cysteine 34 and cysteine 75
A redox-regulated disulphide may form between two units of C-C motif chemokine 2 at cysteines 34 and 34 (11 and 11 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
1dok
Structure name
monocyte chemoattractant protein 1, p-form
Structure deposition date
1996-11-27
Thiol separation (Å)
6
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 2
Peptide B name
C-C motif chemokine 2
Peptide A accession
P13500
Peptide B accession
P13500
Peptide A residue number
34
Peptide B residue number
34

Ligandability

A redox-regulated disulphide may form between two units of C-C motif chemokine 2 at cysteines 34 and 59 (11 and 36 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
1dok
Structure name
monocyte chemoattractant protein 1, p-form
Structure deposition date
1996-11-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C motif chemokine 2
Peptide B name
C-C motif chemokine 2
Peptide A accession
P13500
Peptide B accession
P13500
Peptide A residue number
34
Peptide B residue number
59

Ligandability

Cysteine 34 of C-C motif chemokine 2

Cysteine 59 of C-C motif chemokine 2

A redox-regulated disulphide may form between cysteine 38 of Evasin P974 and cysteine 75 of C-C motif chemokine 2 (9 and 52 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
7so0
Structure name
crystal structure of the engineered tick evasin eva-p974(f31a) complexed to human chemokine ccl2
Structure deposition date
2021-10-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide A name
Evasin P974
Peptide B name
C-C motif chemokine 2
Peptide A accession
A0A023FDY8
Peptide B accession
P13500
Peptide A residue number
38
Peptide B residue number
75

Ligandability

Cysteine 38 of Evasin P974

Cysteine 75 of C-C motif chemokine 2

A redox-regulated disulphide may form between cysteine 177 of Carboxypeptidase O and cysteine 38 of Metallocarboxypeptidase inhibitor (157 and 38 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
5mrv
Structure name
crystal structure of human carboxypeptidase o in complex with nvci
Structure deposition date
2016-12-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
Carboxypeptidase O
Peptide B name
Metallocarboxypeptidase inhibitor
Peptide A accession
Q8IVL8
Peptide B accession
P86912
Peptide A residue number
177
Peptide B residue number
38

Ligandability

Cysteine 177 of Carboxypeptidase O

Cysteine 38 of Metallocarboxypeptidase inhibitor

A redox-regulated disulphide may form between cysteine 199 of Carboxypeptidase O and cysteine 38 of Metallocarboxypeptidase inhibitor (179 and 38 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
5mrv
Structure name
crystal structure of human carboxypeptidase o in complex with nvci
Structure deposition date
2016-12-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide A name
Carboxypeptidase O
Peptide B name
Metallocarboxypeptidase inhibitor
Peptide A accession
Q8IVL8
Peptide B accession
P86912
Peptide A residue number
199
Peptide B residue number
38

Ligandability

Cysteine 199 of Carboxypeptidase O

Cysteine 38 of Metallocarboxypeptidase inhibitor

A redox-regulated disulphide may form between cysteine 32 of C-C chemokine receptor type 2 and cysteine 34 of C-C motif chemokine 2 (32 and 11 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7xa3
Structure name
cryo-em structure of the ccl2 bound ccr2-gi complex
Structure deposition date
2022-03-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-C chemokine receptor type 2
Peptide B name
C-C motif chemokine 2
Peptide A accession
P41597
Peptide B accession
P13500
Peptide A residue number
32
Peptide B residue number
34

Ligandability

Cysteine 32 of C-C chemokine receptor type 2

Cysteine 34 of C-C motif chemokine 2

A redox-regulated disulphide may form between cysteine 177 of Carboxypeptidase O and cysteine 27 of Metallocarboxypeptidase inhibitor (157 and 27 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
5mrv
Structure name
crystal structure of human carboxypeptidase o in complex with nvci
Structure deposition date
2016-12-27
Thiol separation (Å)
10
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide A name
Carboxypeptidase O
Peptide B name
Metallocarboxypeptidase inhibitor
Peptide A accession
Q8IVL8
Peptide B accession
P86912
Peptide A residue number
177
Peptide B residue number
27

Ligandability

Cysteine 177 of Carboxypeptidase O

Cysteine 27 of Metallocarboxypeptidase inhibitor

A redox-regulated disulphide may form between cysteine 38 of Evasin P974 and cysteine 35 of C-C motif chemokine 2 (9 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 ?
38
PDB code
7so0
Structure name
crystal structure of the engineered tick evasin eva-p974(f31a) complexed to human chemokine ccl2
Structure deposition date
2021-10-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide A name
Evasin P974
Peptide B name
C-C motif chemokine 2
Peptide A accession
A0A023FDY8
Peptide B accession
P13500
Peptide A residue number
38
Peptide B residue number
35

Ligandability

Cysteine 38 of Evasin P974

Cysteine 35 of C-C motif chemokine 2

A redox-regulated disulphide may form within C-C motif chemokine 2 between cysteines 35 and 75 (12 and 52 respectively in this structure).

Details

Redox score ?
82
PDB code
1dok
Structure name
monocyte chemoattractant protein 1, p-form
Structure deposition date
1996-11-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13500
Residue number A
35
Residue number B
75
Peptide name
C-C motif chemokine 2

Ligandability

Cysteine 35 of C-C motif chemokine 2

Cysteine 75 of C-C motif chemokine 2

A redox-regulated disulphide may form within C-C motif chemokine 2 between cysteines 34 and 35 (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 ?
56
PDB code
4dn4
Structure name
crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a
Structure deposition date
2012-02-08
Thiol separation (Å)
7
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13500
Residue number A
34
Residue number B
35
Peptide name
C-C motif chemokine 2

Ligandability

Cysteine 34 of C-C motif chemokine 2

Cysteine 35 of C-C motif chemokine 2

A redox-regulated disulphide may form within C-C motif chemokine 2 between cysteines 35 and 59 (12 and 36 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
1ml0
Structure name
viral chemokine binding protein m3 from murine gammaherpesvirus68 in complex with the p8a variant of cc-chemokine mcp-1
Structure deposition date
2002-08-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13500
Residue number A
35
Residue number B
59
Peptide name
C-C motif chemokine 2

Ligandability

Cysteine 35 of C-C motif chemokine 2

Cysteine 59 of C-C motif chemokine 2

A redox-regulated disulphide may form within C-C motif chemokine 2 between cysteines 59 and 75 (36 and 52 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
2nz1
Structure name
viral chemokine binding protein m3 from murine gammaherpesvirus68 in complex with the cc-chemokine ccl2/mcp-1
Structure deposition date
2006-11-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13500
Residue number A
59
Residue number B
75
Peptide name
C-C motif chemokine 2

Ligandability

Cysteine 59 of C-C motif chemokine 2

Cysteine 75 of C-C motif chemokine 2

A redox-regulated disulphide may form within C-C motif chemokine 2 between cysteines 34 and 75 (11 and 52 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
1dok
Structure name
monocyte chemoattractant protein 1, p-form
Structure deposition date
1996-11-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13500
Residue number A
34
Residue number B
75
Peptide name
C-C motif chemokine 2

Ligandability

Cysteine 34 of C-C motif chemokine 2

Cysteine 75 of C-C motif chemokine 2

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