ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Barrier-to-autointegration factor

Intramolecular
Cysteine 77 and cysteine 80 L
Cysteine 67 and cysteine 77 L
Cysteine 80 and cysteine 85 L
A redox-regulated disulphide may form within Barrier-to-autointegration factor between cysteines 77 and 80. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
6us7
Structure name
barrier-to-autointegration factor soaked in tmao: 1 of 14 in mscs set
Structure deposition date
2019-10-24
Thiol separation (Å)
5
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
90
Peptide accession
O75531
Residue number A
77
Residue number B
80
Peptide name
Barrier-to-autointegration factor

Ligandability

Cysteine 77 of Barrier-to-autointegration factor

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 80 of Barrier-to-autointegration factor

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Barrier-to-autointegration factor between cysteines 67 and 77. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6urz
Structure name
barrier-to-autointegration factor soaked in methanol: 1 of 14 in mscs set
Structure deposition date
2019-10-24
Thiol separation (Å)
8
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
73
Peptide accession
O75531
Residue number A
67
Residue number B
77
Peptide name
Barrier-to-autointegration factor

Ligandability

Cysteine 67 of Barrier-to-autointegration factor

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 77 of Barrier-to-autointegration factor

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Barrier-to-autointegration factor between cysteines 80 and 85. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
1ci4
Structure name
the crystal structure of human barrier-to-autointegration factor (baf)
Structure deposition date
1999-04-07
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
88
Peptide accession
O75531
Residue number A
80
Residue number B
85
Peptide name
Barrier-to-autointegration factor

Ligandability

Cysteine 80 of Barrier-to-autointegration factor

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 85 of Barrier-to-autointegration factor

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.

Ligandable in the dataset of Kuljanin et al.

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