ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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BPI fold-containing family A member 1

Intramolecular
Cysteine 180 and cysteine 224
Cysteine 180 and cysteine 214
A redox-regulated disulphide may form within BPI fold-containing family A member 1 between cysteines 180 and 224.

Details

Redox score ?
87
PDB code
5i7j
Structure name
crystal structure of human splunc1 disulfide mutant m3 (i76c, v214c)
Structure deposition date
2016-02-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NP55
Residue number A
180
Residue number B
224
Peptide name
BPI fold-containing family A member 1

Ligandability

Cysteine 180 of BPI fold-containing family A member 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 224 of BPI fold-containing family A member 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 BPI fold-containing family A member 1 between cysteines 180 and 214 (76 and 214 respectively in this structure).

Details

Redox score ?
nan
PDB code
5i7j
Structure name
crystal structure of human splunc1 disulfide mutant m3 (i76c, v214c)
Structure deposition date
2016-02-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NP55
Residue number A
180
Residue number B
214
Peptide name
BPI fold-containing family A member 1

Ligandability

Cysteine 180 of BPI fold-containing family A member 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 214 of BPI fold-containing family A member 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 214 in protein B could not be asigned to a Uniprot residue.
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