ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

CTP synthase 1

Intramolecular
Cysteine 218 and cysteine 243
Cysteine 216 and cysteine 218
Cysteine 216 and cysteine 243
Cysteine 216 and cysteine 234
A redox-regulated disulphide may form within CTP synthase 1 between cysteines 218 and 243.

Details

Redox score ?
81
PDB code
7mip
Structure name
mouse ctps1 bound to inhibitor r80
Structure deposition date
2021-04-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P70698
Residue number A
218
Residue number B
243
Peptide name
CTP synthase 1

Ligandability

Cysteine 218 of CTP synthase 1

Cysteine 243 of CTP synthase 1

A redox-regulated disulphide may form within CTP synthase 1 between cysteines 216 and 218. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
2vo1
Structure name
crystal structure of the synthetase domain of human ctp synthetase
Structure deposition date
2008-02-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
77
Minimum pKa ?
13
% buried
nan
Peptide accession
P17812
Residue number A
216
Residue number B
218
Peptide name
CTP synthase 1

Ligandability

Cysteine 216 of CTP synthase 1

Cysteine 218 of CTP synthase 1

A redox-regulated disulphide may form within CTP synthase 1 between cysteines 216 and 243. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7mip
Structure name
mouse ctps1 bound to inhibitor r80
Structure deposition date
2021-04-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
nan
Peptide accession
P70698
Residue number A
216
Residue number B
243
Peptide name
CTP synthase 1

Ligandability

Cysteine 216 of CTP synthase 1

Cysteine 243 of CTP synthase 1

A redox-regulated disulphide may form within CTP synthase 1 between cysteines 216 and 234. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7mip
Structure name
mouse ctps1 bound to inhibitor r80
Structure deposition date
2021-04-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
100
Peptide accession
P70698
Residue number A
216
Residue number B
234
Peptide name
CTP synthase 1

Ligandability

Cysteine 216 of CTP synthase 1

Cysteine 234 of CTP synthase 1

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