ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Envelope protein US28

Intermolecular
Cysteine 23 and cysteine 36 of CX3CL1 protein
Cysteine 23 and cysteine 32 of CX3CL1 protein
Cysteine 23 and cysteine 74 of CX3CL1 protein
A redox-regulated disulphide may form between cysteine 23 of Envelope protein US28 and cysteine 36 of CX3CL1 protein (23 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
5wb2
Structure name
us28 bound to engineered chemokine cx3cl1
Structure deposition date
2017-06-27
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
Envelope protein US28
Peptide B name
CX3CL1 protein
Peptide A accession
Q80KM9
Peptide B accession
Q6I9S9
Peptide A residue number
23
Peptide B residue number
36

Ligandability

Cysteine 23 of Envelope protein US28

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 36 of CX3CL1 protein

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 23 of Envelope protein US28 and cysteine 32 of CX3CL1 protein (23 and 8 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
5wb2
Structure name
us28 bound to engineered chemokine cx3cl1
Structure deposition date
2017-06-27
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
Envelope protein US28
Peptide B name
CX3CL1 protein
Peptide A accession
Q80KM9
Peptide B accession
Q6I9S9
Peptide A residue number
23
Peptide B residue number
32

Ligandability

Cysteine 23 of Envelope protein US28

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 32 of CX3CL1 protein

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 23 of Envelope protein US28 and cysteine 74 of CX3CL1 protein (23 and 50 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
5wb2
Structure name
us28 bound to engineered chemokine cx3cl1
Structure deposition date
2017-06-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
Envelope protein US28
Peptide B name
CX3CL1 protein
Peptide A accession
Q80KM9
Peptide B accession
Q6I9S9
Peptide A residue number
23
Peptide B residue number
74

Ligandability

Cysteine 23 of Envelope protein US28

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 74 of CX3CL1 protein

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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