ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Tapasin

Intermolecular
Cysteine 115 and cysteine 57 of Protein disulfide-isomerase A3 L
Cysteine 115 and cysteine 60 of Protein disulfide-isomerase A3 L
Intramolecular
Cysteine 27 and cysteine 91 L
Cysteine 315 and cysteine 382
A redox-regulated disulphide may form between cysteine 115 of Tapasin and cysteine 57 of Protein disulfide-isomerase A3 (95 and 33 respectively in this structure).

Details

Redox score ?
83
PDB code
7qng
Structure name
structure of a mhc i-tapasin-erp57 complex
Structure deposition date
2021-12-20
Thiol separation (Å)
3
Half-sphere exposure sum ?
67
Minimum pKa ?
7
% buried
62
Peptide A name
Tapasin
Peptide B name
Protein disulfide-isomerase A3
Peptide A accession
O15533
Peptide B accession
P30101
Peptide A residue number
115
Peptide B residue number
57

Ligandability

Cysteine 115 of Tapasin

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

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 57 of Protein disulfide-isomerase A3

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 115 of Tapasin and cysteine 60 of Protein disulfide-isomerase A3 (95 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
7qpd
Structure name
structure of the human mhc i peptide-loading complex editing module
Structure deposition date
2022-01-03
Thiol separation (Å)
7
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
nan
Peptide A name
Tapasin
Peptide B name
Protein disulfide-isomerase A3
Peptide A accession
O15533
Peptide B accession
P30101
Peptide A residue number
115
Peptide B residue number
60

Ligandability

Cysteine 115 of Tapasin

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

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 Protein disulfide-isomerase A3

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 Tapasin between cysteines 27 and 91 (7 and 71 respectively in this structure).

Details

Redox score ?
87
PDB code
7tuf
Structure name
crystal structure of tapasin in complex with pasta1-fab
Structure deposition date
2022-02-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15533
Residue number A
27
Residue number B
91
Peptide name
Tapasin

Ligandability

Cysteine 27 of Tapasin

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 91 of Tapasin

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.

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 Tapasin between cysteines 315 and 382 (295 and 362 respectively in this structure).

Details

Redox score ?
82
PDB code
7tuf
Structure name
crystal structure of tapasin in complex with pasta1-fab
Structure deposition date
2022-02-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15533
Residue number A
315
Residue number B
382
Peptide name
Tapasin

Ligandability

Cysteine 315 of Tapasin

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 382 of Tapasin

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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