ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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N-acetyl-D-glucosamine kinase

Intramolecular
Cysteine 131 and cysteine 143
Cysteine 131 and cysteine 268
A redox-regulated disulphide may form within N-acetyl-D-glucosamine kinase between cysteines 131 and 143. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
2ch6
Structure name
crystal structure of human n-acetylglucosamine kinase in complex with adp and glucose
Structure deposition date
2006-03-13
Thiol separation (Å)
6
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
92
Peptide accession
Q9UJ70
Residue number A
131
Residue number B
143
Peptide name
N-acetyl-D-glucosamine kinase

Ligandability

Cysteine 131 of N-acetyl-D-glucosamine kinase

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 143 of N-acetyl-D-glucosamine kinase

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-acetyl-D-glucosamine kinase between cysteines 131 and 268. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
2ch5
Structure name
crystal structure of human n-acetylglucosamine kinase in complex with n-acetylglucosamine
Structure deposition date
2006-03-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
Q6IA84
Residue number A
131
Residue number B
268
Peptide name
N-acetyl-D-glucosamine kinase

Ligandability

Cysteine 131 of N-acetyl-D-glucosamine kinase

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 268 of N-acetyl-D-glucosamine kinase

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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