ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nitric oxide synthase, inducible

Intermolecular
Cysteine 110 and cysteine 110
Cysteine 115 and cysteine 115
Intramolecular
Cysteine 110 and cysteine 115
Cysteine 563 and cysteine 681
Cysteine 194 and cysteine 451
A redox-regulated disulphide may form between two units of Nitric oxide synthase, inducible at cysteines 110 and 110.

Details

Redox score ?
78
PDB code
4nos
Structure name
human inducible nitric oxide synthase with inhibitor
Structure deposition date
1999-02-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
6
% buried
100
Peptide A name
Nitric oxide synthase, inducible
Peptide B name
Nitric oxide synthase, inducible
Peptide A accession
P35228
Peptide B accession
P35228
Peptide A residue number
110
Peptide B residue number
110

Ligandability

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 between two units of Nitric oxide synthase, inducible at cysteines 115 and 115. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4nos
Structure name
human inducible nitric oxide synthase with inhibitor
Structure deposition date
1999-02-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
81
Minimum pKa ?
25
% buried
nan
Peptide A name
Nitric oxide synthase, inducible
Peptide B name
Nitric oxide synthase, inducible
Peptide A accession
P35228
Peptide B accession
P35228
Peptide A residue number
115
Peptide B residue number
115

Ligandability

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 Nitric oxide synthase, inducible between cysteines 110 and 115.

Details

Redox score ?
77
PDB code
3ej8
Structure name
structure of double mutant of human inos oxygenase domain with bound immidazole
Structure deposition date
2008-09-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
6
% buried
99
Peptide accession
P35228
Residue number A
110
Residue number B
115
Peptide name
Nitric oxide synthase, inducible

Ligandability

Cysteine 110 of Nitric oxide synthase, inducible

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 115 of Nitric oxide synthase, inducible

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 Nitric oxide synthase, inducible between cysteines 563 and 681. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
3hr4
Structure name
human inos reductase and calmodulin complex
Structure deposition date
2009-06-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
74
Peptide accession
P35228
Residue number A
563
Residue number B
681
Peptide name
Nitric oxide synthase, inducible

Ligandability

Cysteine 563 of Nitric oxide synthase, inducible

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 681 of Nitric oxide synthase, inducible

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 Nitric oxide synthase, inducible between cysteines 194 and 451. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
3e6n
Structure name
structure of murine inos oxygenase domain with inhibitor ar-c125813
Structure deposition date
2008-08-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
83
Minimum pKa ?
11
% buried
100
Peptide accession
P29477
Residue number A
194
Residue number B
451
Peptide name
Nitric oxide synthase, inducible

Ligandability

Cysteine 194 of Nitric oxide synthase, inducible

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 451 of Nitric oxide synthase, inducible

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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