ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Polypeptide N-acetylgalactosaminyltransferase 4

Intramolecular
Cysteine 348 and cysteine 421
Cysteine 503 and cysteine 518
Cysteine 457 and cysteine 477
Cysteine 547 and cysteine 565
Cysteine 124 and cysteine 357
Cysteine 230 and cysteine 232
Cysteine 228 and cysteine 230
A redox-regulated disulphide may form within Polypeptide N-acetylgalactosaminyltransferase 4 between cysteines 348 and 421.

Details

Redox score ?
85
PDB code
6h0b
Structure name
crystal structure of the human galnac-t4 in complex with udp, manganese and the diglycopeptide 6
Structure deposition date
2018-07-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N4A0
Residue number A
348
Residue number B
421
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 4

Ligandability

Cysteine 348 of Polypeptide N-acetylgalactosaminyltransferase 4

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 421 of Polypeptide N-acetylgalactosaminyltransferase 4

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 4 between cysteines 503 and 518.

Details

Redox score ?
84
PDB code
5nqa
Structure name
crystal structure of galnac-t4 in complex with the monoglycopeptide 3
Structure deposition date
2017-04-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N4A0
Residue number A
503
Residue number B
518
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 4

Ligandability

Cysteine 503 of Polypeptide N-acetylgalactosaminyltransferase 4

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 518 of Polypeptide N-acetylgalactosaminyltransferase 4

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 4 between cysteines 457 and 477.

Details

Redox score ?
84
PDB code
5nqa
Structure name
crystal structure of galnac-t4 in complex with the monoglycopeptide 3
Structure deposition date
2017-04-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N4A0
Residue number A
457
Residue number B
477
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 4

Ligandability

Cysteine 457 of Polypeptide N-acetylgalactosaminyltransferase 4

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 477 of Polypeptide N-acetylgalactosaminyltransferase 4

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 4 between cysteines 547 and 565.

Details

Redox score ?
83
PDB code
6h0b
Structure name
crystal structure of the human galnac-t4 in complex with udp, manganese and the diglycopeptide 6
Structure deposition date
2018-07-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N4A0
Residue number A
547
Residue number B
565
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 4

Ligandability

Cysteine 547 of Polypeptide N-acetylgalactosaminyltransferase 4

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 565 of Polypeptide N-acetylgalactosaminyltransferase 4

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 4 between cysteines 124 and 357.

Details

Redox score ?
81
PDB code
5nqa
Structure name
crystal structure of galnac-t4 in complex with the monoglycopeptide 3
Structure deposition date
2017-04-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N4A0
Residue number A
124
Residue number B
357
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 4

Ligandability

Cysteine 124 of Polypeptide N-acetylgalactosaminyltransferase 4

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 357 of Polypeptide N-acetylgalactosaminyltransferase 4

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 4 between cysteines 230 and 232. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
6h0b
Structure name
crystal structure of the human galnac-t4 in complex with udp, manganese and the diglycopeptide 6
Structure deposition date
2018-07-08
Thiol separation (Å)
5
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
Q8N4A0
Residue number A
230
Residue number B
232
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 4

Ligandability

Cysteine 230 of Polypeptide N-acetylgalactosaminyltransferase 4

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 232 of Polypeptide N-acetylgalactosaminyltransferase 4

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 4 between cysteines 228 and 230. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
6h0b
Structure name
crystal structure of the human galnac-t4 in complex with udp, manganese and the diglycopeptide 6
Structure deposition date
2018-07-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
85
Minimum pKa ?
15
% buried
100
Peptide accession
Q8N4A0
Residue number A
228
Residue number B
230
Peptide name
Polypeptide N-acetylgalactosaminyltransferase 4

Ligandability

Cysteine 228 of Polypeptide N-acetylgalactosaminyltransferase 4

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 230 of Polypeptide N-acetylgalactosaminyltransferase 4

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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