ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

Intramolecular
Cysteine 131 and cysteine 164
Cysteine 323 and cysteine 330
Cysteine 148 and cysteine 339
A redox-regulated disulphide may form within N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase between cysteines 131 and 164 (115 and 148 respectively in this structure).

Details

Redox score ?
85
PDB code
6pky
Structure name
guinea pig n-acetylglucosamine-1-phosphodiester alpha-n- acetylglucosaminidase (nagpa) catalytic domain auto-inhibited by pro- peptide
Structure deposition date
2019-06-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
H0VTT5
Residue number A
131
Residue number B
164
Peptide name
N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

Ligandability

Cysteine 131 of N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

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 164 of N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

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-1-phosphodiester alpha-N-acetylglucosaminidase between cysteines 323 and 330 (307 and 314 respectively in this structure).

Details

Redox score ?
82
PDB code
6pky
Structure name
guinea pig n-acetylglucosamine-1-phosphodiester alpha-n- acetylglucosaminidase (nagpa) catalytic domain auto-inhibited by pro- peptide
Structure deposition date
2019-06-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
H0VTT5
Residue number A
323
Residue number B
330
Peptide name
N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

Ligandability

Cysteine 323 of N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

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 330 of N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

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-1-phosphodiester alpha-N-acetylglucosaminidase between cysteines 148 and 339 (132 and 323 respectively in this structure).

Details

Redox score ?
82
PDB code
6pku
Structure name
guinea pig n-acetylglucosamine-1-phosphodiester alpha-n- acetylglucosaminidase (nagpa) catalytic domain (c51s c221s) in complex with n-acetyl-alpha-d-glucosamine (alpha-glcnac) and mannose 6-phosphate (m6p)
Structure deposition date
2019-06-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
H0VTT5
Residue number A
148
Residue number B
339
Peptide name
N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

Ligandability

Cysteine 148 of N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

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 339 of N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

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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