ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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C-X-C motif chemokine 13

Intramolecular
Cysteine 33 and cysteine 60
Cysteine 35 and cysteine 76
Cysteine 35 and cysteine 60
Cysteine 33 and cysteine 35
Cysteine 60 and cysteine 76
Cysteine 33 and cysteine 76
A redox-regulated disulphide may form within C-X-C motif chemokine 13 between cysteines 33 and 60 (11 and 38 respectively in this structure).

Details

Redox score ?
86
PDB code
6vgj
Structure name
n-terminal variant of cxcl13
Structure deposition date
2020-01-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43927
Residue number A
33
Residue number B
60
Peptide name
C-X-C motif chemokine 13

Ligandability

Cysteine 33 of C-X-C motif chemokine 13

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 60 of C-X-C motif chemokine 13

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 within C-X-C motif chemokine 13 between cysteines 35 and 76 (13 and 54 respectively in this structure).

Details

Redox score ?
83
PDB code
6vgj
Structure name
n-terminal variant of cxcl13
Structure deposition date
2020-01-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43927
Residue number A
35
Residue number B
76
Peptide name
C-X-C motif chemokine 13

Ligandability

Cysteine 35 of C-X-C motif chemokine 13

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 76 of C-X-C motif chemokine 13

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 within C-X-C motif chemokine 13 between cysteines 35 and 60 (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 ?
58
PDB code
5cba
Structure name
3b4 in complex with cxcl13 - 3b4-cxcl13
Structure deposition date
2015-06-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
36
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43927
Residue number A
35
Residue number B
60
Peptide name
C-X-C motif chemokine 13

Ligandability

Cysteine 35 of C-X-C motif chemokine 13

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 60 of C-X-C motif chemokine 13

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 within C-X-C motif chemokine 13 between cysteines 33 and 35 (9 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 ?
56
PDB code
5cba
Structure name
3b4 in complex with cxcl13 - 3b4-cxcl13
Structure deposition date
2015-06-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43927
Residue number A
33
Residue number B
35
Peptide name
C-X-C motif chemokine 13

Ligandability

Cysteine 33 of C-X-C motif chemokine 13

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 35 of C-X-C motif chemokine 13

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 within C-X-C motif chemokine 13 between cysteines 60 and 76 (38 and 54 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
6vgj
Structure name
n-terminal variant of cxcl13
Structure deposition date
2020-01-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43927
Residue number A
60
Residue number B
76
Peptide name
C-X-C motif chemokine 13

Ligandability

Cysteine 60 of C-X-C motif chemokine 13

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 76 of C-X-C motif chemokine 13

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 within C-X-C motif chemokine 13 between cysteines 33 and 76 (11 and 54 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
7jny
Structure name
crystal structure of cxcl13
Structure deposition date
2020-08-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43927
Residue number A
33
Residue number B
76
Peptide name
C-X-C motif chemokine 13

Ligandability

Cysteine 33 of C-X-C motif chemokine 13

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 76 of C-X-C motif chemokine 13

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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