ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Viral macrophage inflammatory protein 2

Intermolecular
Cysteine 186 of C-X-C chemokine receptor type 4 and cysteine 5
Cysteine 109 of C-X-C chemokine receptor type 4 and cysteine 5
Cysteine 28 of C-X-C chemokine receptor type 4 and cysteine 34
Cysteine 274 of C-X-C chemokine receptor type 4 and cysteine 34
A redox-regulated disulphide may form between cysteine 186 of C-X-C chemokine receptor type 4 and cysteine 5 of Viral macrophage inflammatory protein 2. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-X-C chemokine receptor type 4
Peptide B name
Viral macrophage inflammatory protein 2
Peptide A accession
P61073
Peptide B accession
Q98157
Peptide A residue number
186
Peptide B residue number
5

Ligandability

Cysteine 186 of C-X-C chemokine receptor type 4

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 5 of Viral macrophage inflammatory protein 2

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 5 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form between cysteine 109 of C-X-C chemokine receptor type 4 and cysteine 5 of Viral macrophage inflammatory protein 2. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-X-C chemokine receptor type 4
Peptide B name
Viral macrophage inflammatory protein 2
Peptide A accession
P61073
Peptide B accession
Q98157
Peptide A residue number
109
Peptide B residue number
5

Ligandability

Cysteine 109 of C-X-C chemokine receptor type 4

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 5 of Viral macrophage inflammatory protein 2

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 5 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form between cysteine 28 of C-X-C chemokine receptor type 4 and cysteine 34 of Viral macrophage inflammatory protein 2 (28 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 ?
51
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-X-C chemokine receptor type 4
Peptide B name
Viral macrophage inflammatory protein 2
Peptide A accession
P61073
Peptide B accession
Q98157
Peptide A residue number
28
Peptide B residue number
34

Ligandability

Cysteine 28 of C-X-C chemokine receptor type 4

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 34 of Viral macrophage inflammatory protein 2

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 between cysteine 274 of C-X-C chemokine receptor type 4 and cysteine 34 of Viral macrophage inflammatory protein 2 (274 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
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-X-C chemokine receptor type 4
Peptide B name
Viral macrophage inflammatory protein 2
Peptide A accession
P61073
Peptide B accession
Q98157
Peptide A residue number
274
Peptide B residue number
34

Ligandability

Cysteine 274 of C-X-C chemokine receptor type 4

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 34 of Viral macrophage inflammatory protein 2

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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