ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Programmed cell death 1 ligand 1

Intramolecular
Cysteine 155 and cysteine 209
Cysteine 40 and cysteine 114
Cysteine 113 and cysteine 114
Cysteine 40 and cysteine 113
A redox-regulated disulphide may form within Programmed cell death 1 ligand 1 between cysteines 155 and 209.

Details

Redox score ?
80
PDB code
5xj4
Structure name
complex structure of durvalumab-scfv/pd-l1
Structure deposition date
2017-04-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NZQ7
Residue number A
155
Residue number B
209
Peptide name
Programmed cell death 1 ligand 1

Ligandability

Cysteine 155 of Programmed cell death 1 ligand 1

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 209 of Programmed cell death 1 ligand 1

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 Programmed cell death 1 ligand 1 between cysteines 40 and 114.

Details

Redox score ?
74
PDB code
5ggt
Structure name
pd-l1 in complex with bms-936559 fab
Structure deposition date
2016-06-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
78
Minimum pKa ?
9
% buried
94
Peptide accession
Q9NZQ7
Residue number A
40
Residue number B
114
Peptide name
Programmed cell death 1 ligand 1

Ligandability

Cysteine 40 of Programmed cell death 1 ligand 1

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 114 of Programmed cell death 1 ligand 1

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 Programmed cell death 1 ligand 1 between cysteines 113 and 114. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
6sru
Structure name
structure of ig-like v-type domian of mouse programmed cell death 1 ligand 1 (pd-l1)
Structure deposition date
2019-09-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
nan
Peptide accession
Q9EP73
Residue number A
113
Residue number B
114
Peptide name
Programmed cell death 1 ligand 1

Ligandability

Cysteine 113 of Programmed cell death 1 ligand 1

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 114 of Programmed cell death 1 ligand 1

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 Programmed cell death 1 ligand 1 between cysteines 40 and 113. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6sru
Structure name
structure of ig-like v-type domian of mouse programmed cell death 1 ligand 1 (pd-l1)
Structure deposition date
2019-09-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
11
% buried
nan
Peptide accession
Q9EP73
Residue number A
40
Residue number B
113
Peptide name
Programmed cell death 1 ligand 1

Ligandability

Cysteine 40 of Programmed cell death 1 ligand 1

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 113 of Programmed cell death 1 ligand 1

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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