ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ectonucleoside triphosphate diphosphohydrolase 4

Intramolecular
Cysteine 368 and cysteine 395
Cysteine 461 and cysteine 490
Cysteine 95 and cysteine 178
Cysteine 395 and cysteine 461
Cysteine 395 and cysteine 490
Cysteine 368 and cysteine 461
Cysteine 368 and cysteine 490
Cysteine 437 and cysteine 490
A redox-regulated disulphide may form within Ectonucleoside triphosphate diphosphohydrolase 4 between cysteines 368 and 395.

Details

Redox score ?
82
PDB code
6wg5
Structure name
human ectonucleoside triphosphate diphosphohydrolase 4 (entpd4, ntpdase 4)
Structure deposition date
2020-04-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y227
Residue number A
368
Residue number B
395
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 4

Ligandability

Cysteine 368 of Ectonucleoside triphosphate diphosphohydrolase 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 395 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 4 between cysteines 461 and 490.

Details

Redox score ?
81
PDB code
6wg5
Structure name
human ectonucleoside triphosphate diphosphohydrolase 4 (entpd4, ntpdase 4)
Structure deposition date
2020-04-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
91
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y227
Residue number A
461
Residue number B
490
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 4

Ligandability

Cysteine 461 of Ectonucleoside triphosphate diphosphohydrolase 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 490 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 4 between cysteines 95 and 178.

Details

Redox score ?
69
PDB code
6wg5
Structure name
human ectonucleoside triphosphate diphosphohydrolase 4 (entpd4, ntpdase 4)
Structure deposition date
2020-04-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
8
% buried
100
Peptide accession
Q9Y227
Residue number A
95
Residue number B
178
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 4

Ligandability

Cysteine 95 of Ectonucleoside triphosphate diphosphohydrolase 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 178 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 4 between cysteines 395 and 461. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
6wg5
Structure name
human ectonucleoside triphosphate diphosphohydrolase 4 (entpd4, ntpdase 4)
Structure deposition date
2020-04-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y227
Residue number A
395
Residue number B
461
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 4

Ligandability

Cysteine 395 of Ectonucleoside triphosphate diphosphohydrolase 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 461 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 4 between cysteines 395 and 490. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
6wg5
Structure name
human ectonucleoside triphosphate diphosphohydrolase 4 (entpd4, ntpdase 4)
Structure deposition date
2020-04-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
88
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y227
Residue number A
395
Residue number B
490
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 4

Ligandability

Cysteine 395 of Ectonucleoside triphosphate diphosphohydrolase 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 490 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 4 between cysteines 368 and 461. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
6wg5
Structure name
human ectonucleoside triphosphate diphosphohydrolase 4 (entpd4, ntpdase 4)
Structure deposition date
2020-04-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y227
Residue number A
368
Residue number B
461
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 4

Ligandability

Cysteine 368 of Ectonucleoside triphosphate diphosphohydrolase 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 461 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 4 between cysteines 368 and 490. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6wg5
Structure name
human ectonucleoside triphosphate diphosphohydrolase 4 (entpd4, ntpdase 4)
Structure deposition date
2020-04-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
94
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y227
Residue number A
368
Residue number B
490
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 4

Ligandability

Cysteine 368 of Ectonucleoside triphosphate diphosphohydrolase 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 490 of Ectonucleoside triphosphate diphosphohydrolase 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 Ectonucleoside triphosphate diphosphohydrolase 4 between cysteines 437 and 490. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
6wg5
Structure name
human ectonucleoside triphosphate diphosphohydrolase 4 (entpd4, ntpdase 4)
Structure deposition date
2020-04-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
96
Minimum pKa ?
12
% buried
nan
Peptide accession
Q9Y227
Residue number A
437
Residue number B
490
Peptide name
Ectonucleoside triphosphate diphosphohydrolase 4

Ligandability

Cysteine 437 of Ectonucleoside triphosphate diphosphohydrolase 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 490 of Ectonucleoside triphosphate diphosphohydrolase 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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