Nitric oxide synthase, endothelial
Intermolecular
Cysteine 94 and cysteine 94
Cysteine 99 and cysteine 99
Cysteine 382 and cysteine 382
Intramolecular
Cysteine 94 and cysteine 99
Cysteine 186 and cysteine 443
1m9q A 94 B 94
A redox-regulated disulphide may form between two units of Nitric oxide synthase, endothelial at cysteines 94 and 94.
Details
Redox score ?
81
PDB code
1m9q
Structure name
human endothelial nitric oxide synthase with 5- nitroindazole bound
Structure deposition date
2002-07-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
6
% buried
78
Peptide A name
Nitric oxide synthase, endothelial
Peptide B name
Nitric oxide synthase, endothelial
Peptide A accession
P29474
Peptide B accession
P29474
Peptide A residue number
94
Peptide B residue number
94
Ligandability
6pp0 A 99 B 99
A redox-regulated disulphide may form between two units of Nitric oxide synthase, endothelial at cysteines 99 and 99.
Details
Redox score ?
69
PDB code
6pp0
Structure name
structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4- methylquinolin-2-amine
Structure deposition date
2019-07-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide A name
Nitric oxide synthase, endothelial
Peptide B name
Nitric oxide synthase, endothelial
Peptide A accession
P29474
Peptide B accession
P29474
Peptide A residue number
99
Peptide B residue number
99
Ligandability
6pp4 B 382 C 382
A redox-regulated disulphide may form between two units of Nitric oxide synthase, endothelial at cysteines 382 and 382. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
53
PDB code
6pp4
Structure name
structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4- methylquinolin-2-amine
Structure deposition date
2019-07-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide A name
Nitric oxide synthase, endothelial
Peptide B name
Nitric oxide synthase, endothelial
Peptide A accession
P29474
Peptide B accession
P29474
Peptide A residue number
382
Peptide B residue number
382
Ligandability
5vvc B 94 B 99
A redox-regulated disulphide may form within Nitric oxide synthase, endothelial between cysteines 94 and 99.
Details
Redox score ?
75
PDB code
5vvc
Structure name
structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-amino-4-methylquinolin-7-yl)methyl)amino) ethyl)-2-methylbenzonitrile
Structure deposition date
2017-05-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P29474
Residue number A
94
Residue number B
99
Peptide name
Nitric oxide synthase, endothelial
Ligandability
Cysteine 94 of Nitric oxide synthase, endothelial
Cysteine 99 of Nitric oxide synthase, endothelial
3n5s B 186 B 443
A redox-regulated disulphide may form within Nitric oxide synthase, endothelial between cysteines 186 and 443. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
28
PDB code
3n5s
Structure name
structure of endothelial nitric oxide synthase heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl) ethyl)-6-methylpyridin-2-amine
Structure deposition date
2010-05-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
100
Peptide accession
P29473
Residue number A
186
Residue number B
443
Peptide name
Nitric oxide synthase, endothelial
Ligandability
Cysteine 186 of Nitric oxide synthase, endothelial
Cysteine 443 of Nitric oxide synthase, endothelial
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