ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Beta-hexosaminidase subunit beta

Intermolecular
Cysteine 91 and cysteine 137
Intramolecular
Cysteine 91 and cysteine 137
Cysteine 309 and cysteine 360 L
Cysteine 534 and cysteine 551
A redox-regulated disulphide may form between two units of Beta-hexosaminidase subunit beta at cysteines 91 and 137.

Details

Redox score ?
88
PDB code
1np0
Structure name
human lysosomal beta-hexosaminidase isoform b in complex with intermediate analogue nag-thiazoline
Structure deposition date
2003-01-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide A name
Beta-hexosaminidase subunit beta
Peptide B name
Beta-hexosaminidase subunit beta
Peptide A accession
P07686
Peptide B accession
P07686
Peptide A residue number
91
Peptide B residue number
137

Ligandability

Cysteine 91 of Beta-hexosaminidase subunit beta

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 137 of Beta-hexosaminidase subunit beta

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 Beta-hexosaminidase subunit beta between cysteines 91 and 137.

Details

Redox score ?
88
PDB code
1now
Structure name
human lysosomal beta-hexosaminidase isoform b in complex with (2r,3r, 4s,5r)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (galnac-isofagomine)
Structure deposition date
2003-01-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
p07686
Residue number A
91
Residue number B
137
Peptide name
Beta-hexosaminidase subunit beta

Ligandability

Cysteine 91 of Beta-hexosaminidase subunit beta

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 137 of Beta-hexosaminidase subunit beta

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 Beta-hexosaminidase subunit beta between cysteines 309 and 360.

Details

Redox score ?
85
PDB code
2gjx
Structure name
crystallographic structure of human beta-hexosaminidase a
Structure deposition date
2006-03-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07686
Residue number A
309
Residue number B
360
Peptide name
Beta-hexosaminidase subunit beta

Ligandability

Cysteine 309 of Beta-hexosaminidase subunit beta

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.

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 360 of Beta-hexosaminidase subunit beta

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 Beta-hexosaminidase subunit beta between cysteines 534 and 551.

Details

Redox score ?
83
PDB code
1o7a
Structure name
human beta-hexosaminidase b
Structure deposition date
2002-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07686
Residue number A
534
Residue number B
551
Peptide name
Beta-hexosaminidase subunit beta

Ligandability

Cysteine 534 of Beta-hexosaminidase subunit beta

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 551 of Beta-hexosaminidase subunit beta

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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