ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Intramolecular
Cysteine 62 and cysteine 67
Cysteine 64 and cysteine 142
Cysteine 62 and cysteine 64
Cysteine 145 and cysteine 284
Cysteine 62 and cysteine 142
Cysteine 64 and cysteine 67
Cysteine 67 and cysteine 142
Cysteine 64 and cysteine 145
Cysteine 142 and cysteine 145
Cysteine 64 and cysteine 284
Cysteine 142 and cysteine 284
A redox-regulated disulphide may form within CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 62 and 67.

Details

Redox score ?
88
PDB code
2wnb
Structure name
crystal structure of a mammalian sialyltransferase in complex with disaccharide and cmp
Structure deposition date
2009-07-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
62
Residue number B
67
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 62 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 67 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 64 and 142.

Details

Redox score ?
87
PDB code
2wml
Structure name
crystal structure of a mammalian sialyltransferase
Structure deposition date
2009-07-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
64
Residue number B
142
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 64 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 142 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 62 and 64.

Details

Redox score ?
81
PDB code
2wml
Structure name
crystal structure of a mammalian sialyltransferase
Structure deposition date
2009-07-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
62
Residue number B
64
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 62 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 64 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 145 and 284.

Details

Redox score ?
79
PDB code
2wml
Structure name
crystal structure of a mammalian sialyltransferase
Structure deposition date
2009-07-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
145
Residue number B
284
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 145 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 284 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 62 and 142.

Details

Redox score ?
69
PDB code
2wml
Structure name
crystal structure of a mammalian sialyltransferase
Structure deposition date
2009-07-01
Thiol separation (Å)
5
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
62
Residue number B
142
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 62 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 142 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 64 and 67.

Details

Redox score ?
67
PDB code
2wnf
Structure name
crystal structure of a mammalian sialyltransferase in complex with gal-beta-1-3galnac-ortho-nitrophenol
Structure deposition date
2009-07-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
47
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
64
Residue number B
67
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 64 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 67 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 67 and 142. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
2wml
Structure name
crystal structure of a mammalian sialyltransferase
Structure deposition date
2009-07-01
Thiol separation (Å)
7
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
67
Residue number B
142
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 67 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 142 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 64 and 145. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
2wml
Structure name
crystal structure of a mammalian sialyltransferase
Structure deposition date
2009-07-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
64
Residue number B
145
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 64 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 145 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 142 and 145. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
2wnf
Structure name
crystal structure of a mammalian sialyltransferase in complex with gal-beta-1-3galnac-ortho-nitrophenol
Structure deposition date
2009-07-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
142
Residue number B
145
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 142 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 145 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 64 and 284. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
2wnf
Structure name
crystal structure of a mammalian sialyltransferase in complex with gal-beta-1-3galnac-ortho-nitrophenol
Structure deposition date
2009-07-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
64
Residue number B
284
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 64 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 284 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 between cysteines 142 and 284. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
2wml
Structure name
crystal structure of a mammalian sialyltransferase
Structure deposition date
2009-07-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q02745
Residue number A
142
Residue number B
284
Peptide name
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

Ligandability

Cysteine 142 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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 284 of CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1

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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