ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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N-acetylglucosamine-6-phosphate deacetylase

Intramolecular
Cysteine 18 and cysteine 58
Cysteine 107 and cysteine 206
A redox-regulated disulphide may form within N-acetylglucosamine-6-phosphate deacetylase between cysteines 18 and 58.

Details

Redox score ?
78
PDB code
7nut
Structure name
crystal structure of human amdhd2 in complex with zn and glcn6p
Structure deposition date
2021-03-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
54
Minimum pKa ?
8
% buried
60
Peptide accession
Q9Y303
Residue number A
18
Residue number B
58
Peptide name
N-acetylglucosamine-6-phosphate deacetylase

Ligandability

Cysteine 18 of N-acetylglucosamine-6-phosphate deacetylase

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 58 of N-acetylglucosamine-6-phosphate deacetylase

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 N-acetylglucosamine-6-phosphate deacetylase between cysteines 107 and 206. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
7nut
Structure name
crystal structure of human amdhd2 in complex with zn and glcn6p
Structure deposition date
2021-03-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
88
Minimum pKa ?
11
% buried
100
Peptide accession
Q9Y303
Residue number A
107
Residue number B
206
Peptide name
N-acetylglucosamine-6-phosphate deacetylase

Ligandability

Cysteine 107 of N-acetylglucosamine-6-phosphate deacetylase

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 206 of N-acetylglucosamine-6-phosphate deacetylase

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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