ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ectonucleoside triphosphate diphosphohydrolase 2

Intramolecular
Cysteine 323 and cysteine 328
Cysteine 75 and cysteine 99
Cysteine 377 and cysteine 399
Cysteine 242 and cysteine 284
Cysteine 265 and cysteine 310
Cysteine 310 and cysteine 399
Cysteine 310 and cysteine 377
Cysteine 265 and cysteine 399
Cysteine 265 and cysteine 377
A redox-regulated disulphide may form within Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 323 and 328.

Details

Redox score ?
89
PDB code
4bqz
Structure name
rat ntpdase2 in complex with mg gmppnp
Structure deposition date
2013-06-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
323
Residue number B
328
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 323 of Ectonucleoside triphosphate diphosphohydrolase 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 328 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 75 and 99.

Details

Redox score ?
83
PDB code
4br5
Structure name
rat ntpdase2 in complex with zn amppnp
Structure deposition date
2013-06-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
75
Residue number B
99
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 75 of Ectonucleoside triphosphate diphosphohydrolase 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 99 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 377 and 399.

Details

Redox score ?
82
PDB code
4bqz
Structure name
rat ntpdase2 in complex with mg gmppnp
Structure deposition date
2013-06-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
89
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
377
Residue number B
399
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 377 of Ectonucleoside triphosphate diphosphohydrolase 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 399 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 242 and 284.

Details

Redox score ?
82
PDB code
4bqz
Structure name
rat ntpdase2 in complex with mg gmppnp
Structure deposition date
2013-06-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
242
Residue number B
284
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 242 of Ectonucleoside triphosphate diphosphohydrolase 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 284 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 265 and 310.

Details

Redox score ?
81
PDB code
4bqz
Structure name
rat ntpdase2 in complex with mg gmppnp
Structure deposition date
2013-06-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
90
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
265
Residue number B
310
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 265 of Ectonucleoside triphosphate diphosphohydrolase 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 310 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 310 and 399.

Details

Redox score ?
73
PDB code
4bqz
Structure name
rat ntpdase2 in complex with mg gmppnp
Structure deposition date
2013-06-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
90
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
310
Residue number B
399
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 310 of Ectonucleoside triphosphate diphosphohydrolase 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 399 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 310 and 377.

Details

Redox score ?
72
PDB code
4bqz
Structure name
rat ntpdase2 in complex with mg gmppnp
Structure deposition date
2013-06-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
310
Residue number B
377
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 310 of Ectonucleoside triphosphate diphosphohydrolase 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 377 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 265 and 399.

Details

Redox score ?
63
PDB code
4bqz
Structure name
rat ntpdase2 in complex with mg gmppnp
Structure deposition date
2013-06-03
Thiol separation (Å)
5
Half-sphere exposure sum ?
98
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
265
Residue number B
399
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 265 of Ectonucleoside triphosphate diphosphohydrolase 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 399 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 2 between cysteines 265 and 377. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
4bqz
Structure name
rat ntpdase2 in complex with mg gmppnp
Structure deposition date
2013-06-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5RJP4
Residue number A
265
Residue number B
377
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 2

Ligandability

Cysteine 265 of Ectonucleoside triphosphate diphosphohydrolase 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 377 of Ectonucleoside triphosphate diphosphohydrolase 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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