ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Activin receptor type-1

Intermolecular
Cysteine 395 and cysteine 395
Intramolecular
Cysteine 350 and cysteine 351
A redox-regulated disulphide may form between two units of Activin receptor type-1 at cysteines 395 and 395. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
7a21
Structure name
crystal structure of the acvr1 (alk2) kinase in complex with the compound m4k2158
Structure deposition date
2020-08-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
64
Peptide A name
Activin receptor type-1
Peptide B name
Activin receptor type-1
Peptide A accession
Q04771
Peptide B accession
Q04771
Peptide A residue number
395
Peptide B residue number
395

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 Activin receptor type-1 between cysteines 350 and 351. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5s77
Structure name
xchem group deposition -- crystal structure of human acvr1 in complex with xs035133b
Structure deposition date
2020-12-11
Thiol separation (Å)
7
Half-sphere exposure sum ?
85
Minimum pKa ?
11
% buried
96
Peptide accession
Q04771
Residue number A
350
Residue number B
351
Peptide name
Activin receptor type-1

Ligandability

Cysteine 350 of Activin receptor type-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 351 of Activin receptor type-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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