ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Polypeptide N-acetylgalactosaminyltransferase 12

Intramolecular
Cysteine 349 and cysteine 422
Cysteine 458 and cysteine 479
Cysteine 506 and cysteine 521
Cysteine 125 and cysteine 358
Cysteine 547 and cysteine 566
Cysteine 231 and cysteine 233
Cysteine 229 and cysteine 231
A redox-regulated disulphide may form within Polypeptide N-acetylgalactosaminyltransferase 12 between cysteines 349 and 422.

Details

Redox score ?
85
PDB code
6pxu
Structure name
crystal structure of human galnac-t12 bound to a diglycosylated peptide, mn2+, and udp
Structure deposition date
2019-07-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IXK2
Residue number A
349
Residue number B
422
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 12

Ligandability

Cysteine 349 of Polypeptide N-acetylgalactosaminyltransferase 12

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 422 of Polypeptide N-acetylgalactosaminyltransferase 12

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 Polypeptide N-acetylgalactosaminyltransferase 12 between cysteines 458 and 479.

Details

Redox score ?
84
PDB code
6pxu
Structure name
crystal structure of human galnac-t12 bound to a diglycosylated peptide, mn2+, and udp
Structure deposition date
2019-07-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IXK2
Residue number A
458
Residue number B
479
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 12

Ligandability

Cysteine 458 of Polypeptide N-acetylgalactosaminyltransferase 12

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 479 of Polypeptide N-acetylgalactosaminyltransferase 12

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 Polypeptide N-acetylgalactosaminyltransferase 12 between cysteines 506 and 521.

Details

Redox score ?
83
PDB code
6pxu
Structure name
crystal structure of human galnac-t12 bound to a diglycosylated peptide, mn2+, and udp
Structure deposition date
2019-07-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IXK2
Residue number A
506
Residue number B
521
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 12

Ligandability

Cysteine 506 of Polypeptide N-acetylgalactosaminyltransferase 12

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 521 of Polypeptide N-acetylgalactosaminyltransferase 12

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 Polypeptide N-acetylgalactosaminyltransferase 12 between cysteines 125 and 358.

Details

Redox score ?
82
PDB code
6pxu
Structure name
crystal structure of human galnac-t12 bound to a diglycosylated peptide, mn2+, and udp
Structure deposition date
2019-07-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IXK2
Residue number A
125
Residue number B
358
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 12

Ligandability

Cysteine 125 of Polypeptide N-acetylgalactosaminyltransferase 12

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 358 of Polypeptide N-acetylgalactosaminyltransferase 12

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 Polypeptide N-acetylgalactosaminyltransferase 12 between cysteines 547 and 566.

Details

Redox score ?
80
PDB code
6pxu
Structure name
crystal structure of human galnac-t12 bound to a diglycosylated peptide, mn2+, and udp
Structure deposition date
2019-07-27
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
21
Peptide accession
Q8IXK2
Residue number A
547
Residue number B
566
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 12

Ligandability

Cysteine 547 of Polypeptide N-acetylgalactosaminyltransferase 12

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 566 of Polypeptide N-acetylgalactosaminyltransferase 12

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 Polypeptide N-acetylgalactosaminyltransferase 12 between cysteines 231 and 233. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6pxu
Structure name
crystal structure of human galnac-t12 bound to a diglycosylated peptide, mn2+, and udp
Structure deposition date
2019-07-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
Q8IXK2
Residue number A
231
Residue number B
233
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 12

Ligandability

Cysteine 231 of Polypeptide N-acetylgalactosaminyltransferase 12

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 233 of Polypeptide N-acetylgalactosaminyltransferase 12

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 Polypeptide N-acetylgalactosaminyltransferase 12 between cysteines 229 and 231. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
6pxu
Structure name
crystal structure of human galnac-t12 bound to a diglycosylated peptide, mn2+, and udp
Structure deposition date
2019-07-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
85
Minimum pKa ?
11
% buried
100
Peptide accession
Q8IXK2
Residue number A
229
Residue number B
231
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 12

Ligandability

Cysteine 229 of Polypeptide N-acetylgalactosaminyltransferase 12

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 231 of Polypeptide N-acetylgalactosaminyltransferase 12

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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