ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Polypeptide N-acetylgalactosaminyltransferase 2

Intramolecular
Cysteine 345 and cysteine 423
Cysteine 539 and cysteine 555
Cysteine 496 and cysteine 513
Cysteine 126 and cysteine 354
Cysteine 456 and cysteine 473
Cysteine 227 and cysteine 229
A redox-regulated disulphide may form within Polypeptide N-acetylgalactosaminyltransferase 2 between cysteines 345 and 423.

Details

Redox score ?
87
PDB code
4d0z
Structure name
galnac-t2 crystal soaked with udp-5sgalnac, mea2 and manganese (higher resolution dataset)
Structure deposition date
2014-04-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10471
Residue number A
345
Residue number B
423
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 2

Ligandability

Cysteine 345 of Polypeptide N-acetylgalactosaminyltransferase 2

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 423 of Polypeptide N-acetylgalactosaminyltransferase 2

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 2 between cysteines 539 and 555.

Details

Redox score ?
86
PDB code
6nqt
Structure name
galnac-t2 soaked with udp-sugar
Structure deposition date
2019-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10471
Residue number A
539
Residue number B
555
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 2

Ligandability

Cysteine 539 of Polypeptide N-acetylgalactosaminyltransferase 2

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 555 of Polypeptide N-acetylgalactosaminyltransferase 2

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 2 between cysteines 496 and 513.

Details

Redox score ?
82
PDB code
2ffu
Structure name
crystal structure of human ppgalnact-2 complexed with udp and ea2
Structure deposition date
2005-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10471
Residue number A
496
Residue number B
513
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 2

Ligandability

Cysteine 496 of Polypeptide N-acetylgalactosaminyltransferase 2

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 513 of Polypeptide N-acetylgalactosaminyltransferase 2

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 2 between cysteines 126 and 354.

Details

Redox score ?
82
PDB code
6nqt
Structure name
galnac-t2 soaked with udp-sugar
Structure deposition date
2019-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10471
Residue number A
126
Residue number B
354
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 2

Ligandability

Cysteine 126 of Polypeptide N-acetylgalactosaminyltransferase 2

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 354 of Polypeptide N-acetylgalactosaminyltransferase 2

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 2 between cysteines 456 and 473.

Details

Redox score ?
81
PDB code
6nqt
Structure name
galnac-t2 soaked with udp-sugar
Structure deposition date
2019-01-21
Thiol separation (Å)
3
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
26
Peptide accession
Q10471
Residue number A
456
Residue number B
473
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 2

Ligandability

Cysteine 456 of Polypeptide N-acetylgalactosaminyltransferase 2

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 473 of Polypeptide N-acetylgalactosaminyltransferase 2

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 2 between cysteines 227 and 229. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
2ffv
Structure name
human ppgalnact-2 complexed with manganese and udp
Structure deposition date
2005-12-20
Thiol separation (Å)
7
Half-sphere exposure sum ?
91
Minimum pKa ?
11
% buried
100
Peptide accession
Q10471
Residue number A
227
Residue number B
229
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 2

Ligandability

Cysteine 227 of Polypeptide N-acetylgalactosaminyltransferase 2

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 229 of Polypeptide N-acetylgalactosaminyltransferase 2

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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