ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Butyrophilin subfamily 3 member A1

Intermolecular
Cysteine 387 and cysteine 387
Intramolecular
Cysteine 52 and cysteine 126
Cysteine 166 and cysteine 220
Cysteine 383 and cysteine 412
A redox-regulated disulphide may form between two units of Butyrophilin subfamily 3 member A1 at cysteines 387 and 387 (357 and 357 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6j06
Structure name
crystal structure of intracellular b30
Structure deposition date
2018-12-21
Thiol separation (Å)
8
Half-sphere exposure sum ?
72
Minimum pKa ?
14
% buried
100
Peptide A name
Butyrophilin subfamily 3 member A1
Peptide B name
Butyrophilin subfamily 3 member A1
Peptide A accession
O00481
Peptide B accession
O00481
Peptide A residue number
387
Peptide B residue number
387

Ligandability

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 Butyrophilin subfamily 3 member A1 between cysteines 52 and 126 (23 and 97 respectively in this structure).

Details

Redox score ?
81
PDB code
4f9l
Structure name
crystal structure of the human btn3a1 ectodomain in complex with the 20
Structure deposition date
2012-05-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
O00481
Residue number A
52
Residue number B
126
Peptide name
Butyrophilin subfamily 3 member A1

Ligandability

Cysteine 52 of Butyrophilin subfamily 3 member A1

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 126 of Butyrophilin subfamily 3 member A1

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 Butyrophilin subfamily 3 member A1 between cysteines 166 and 220 (137 and 191 respectively in this structure).

Details

Redox score ?
78
PDB code
4f9l
Structure name
crystal structure of the human btn3a1 ectodomain in complex with the 20
Structure deposition date
2012-05-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
O00481
Residue number A
166
Residue number B
220
Peptide name
Butyrophilin subfamily 3 member A1

Ligandability

Cysteine 166 of Butyrophilin subfamily 3 member A1

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 220 of Butyrophilin subfamily 3 member A1

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 Butyrophilin subfamily 3 member A1 between cysteines 383 and 412 (353 and 382 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
6ita
Structure name
crystal structure of intracellular b30
Structure deposition date
2018-11-20
Thiol separation (Å)
7
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
O00481
Residue number A
383
Residue number B
412
Peptide name
Butyrophilin subfamily 3 member A1

Ligandability

Cysteine 383 of Butyrophilin subfamily 3 member A1

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 412 of Butyrophilin subfamily 3 member A1

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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