ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Histo-blood group ABO system transferase

Intermolecular
Cysteine 80 and cysteine 80
Intramolecular
Cysteine 196 and cysteine 209
Cysteine 284 and cysteine 302
Cysteine 284 and cysteine 303
A redox-regulated disulphide may form between two units of Histo-blood group ABO system transferase at cysteines 80 and 80. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
3zgf
Structure name
crystal structure of the fucosylgalactoside alpha n- acetylgalactosaminyltransferase (gta, cisab mutant l266g, g268a) in complex with in complex with npe caged udp-gal (p2(1)2(1)2(1) space group)
Structure deposition date
2012-12-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
94
Peptide A name
Histo-blood group ABO system transferase
Peptide B name
Histo-blood group ABO system transferase
Peptide A accession
P16442
Peptide B accession
P16442
Peptide A residue number
80
Peptide B residue number
80

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 Histo-blood group ABO system transferase between cysteines 196 and 209. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
5c1g
Structure name
crystal structure of abba + udp + di
Structure deposition date
2015-06-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
80
Peptide accession
P16442
Residue number A
196
Residue number B
209
Peptide name
Histo-blood group ABO system transferase

Ligandability

Cysteine 196 of Histo-blood group ABO system transferase

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 209 of Histo-blood group ABO system transferase

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 Histo-blood group ABO system transferase between cysteines 284 and 302.

Details

Redox score ?
nan
PDB code
6bji
Structure name
human abo(h) blood group glycosyltransferase gta d302c mutant
Structure deposition date
2017-11-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
95
Peptide accession
P16442
Residue number A
284
Residue number B
302
Peptide name
Histo-blood group ABO system transferase

Ligandability

Cysteine 284 of Histo-blood group ABO system transferase

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 302 of Histo-blood group ABO system transferase

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 302 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Histo-blood group ABO system transferase between cysteines 284 and 303.

Details

Redox score ?
nan
PDB code
5cmg
Structure name
gta mutant with mercury- e303c
Structure deposition date
2015-07-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
52
Minimum pKa ?
9
% buried
64
Peptide accession
P16442
Residue number A
284
Residue number B
303
Peptide name
Histo-blood group ABO system transferase

Ligandability

Cysteine 284 of Histo-blood group ABO system transferase

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 303 of Histo-blood group ABO system transferase

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 303 in protein B could not be asigned to a Uniprot residue.
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