Nitric oxide synthase, brain
Intermolecular
Cysteine 331 and cysteine 331
Cysteine 302 and cysteine 302
Cysteine 336 and cysteine 331
Cysteine 336 and cysteine 336
Intramolecular
Cysteine 432 and cysteine 599
Cysteine 1244 and cysteine 1275
Cysteine 939 and cysteine 943
Cysteine 668 and cysteine 672
Cysteine 415 and cysteine 672
Cysteine 1211 and cysteine 1226
7ts3 A 331 B 331
A redox-regulated disulphide may form between two units of Nitric oxide synthase, brain at cysteines 331 and 331.
Details
Redox score ?
82
PDB code
7ts3
Structure name
structure of human neuronal nitric oxide synthase r354a/g357d mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1- yn-1-yl)-4-methylpyridin-2-amine
Structure deposition date
2022-01-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
68
Minimum pKa ?
6
% buried
nan
Peptide A name
Nitric oxide synthase, brain
Peptide B name
Nitric oxide synthase, brain
Peptide A accession
P29475
Peptide B accession
P29475
Peptide A residue number
331
Peptide B residue number
331
Ligandability
4v3u B 302 D 302
A redox-regulated disulphide may form between two units of Nitric oxide synthase, brain at cysteines 302 and 302.
Details
Redox score ?
80
PDB code
4v3u
Structure name
structure of human nnos r354a g357d mutant heme domain in complex with n-2-(2-(1h-imidazol-1-yl)pyrimidin-4-yl)ethyl- 3-(pyridin-3-yl)propan-1-amine
Structure deposition date
2014-10-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Nitric oxide synthase, brain
Peptide B name
Nitric oxide synthase, brain
Peptide A accession
P29475
Peptide B accession
P29475
Peptide A residue number
302
Peptide B residue number
302
Ligandability
6po8 A 336 B 331
A redox-regulated disulphide may form between two units of Nitric oxide synthase, brain at cysteines 336 and 331.
Details
Redox score ?
69
PDB code
6po8
Structure name
structure of human neuronal nitric oxide synthase r354a/g357d mutant heme domain in complex with 4-((4-(2-amino-4-methylquinolin-7-yl)-2- (aminomethyl)phenoxy)methyl)benzonitrile
Structure deposition date
2019-07-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
10
% buried
98
Peptide A name
Nitric oxide synthase, brain
Peptide B name
Nitric oxide synthase, brain
Peptide A accession
P29475
Peptide B accession
P29475
Peptide A residue number
336
Peptide B residue number
331
Ligandability
Cysteine 336 of Nitric oxide synthase, brain
Cysteine 331 of Nitric oxide synthase, brain
6av3 A 336 B 336
A redox-regulated disulphide may form between two units of Nitric oxide synthase, brain at cysteines 336 and 336. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
57
PDB code
6av3
Structure name
structure of human neuronal nitric oxide synthase r354a/g357d mutant heme domain in complex with 4-methyl-6-(2-(5-(3-((methylamino) methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Structure deposition date
2017-09-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
78
Minimum pKa ?
15
% buried
100
Peptide A name
Nitric oxide synthase, brain
Peptide B name
Nitric oxide synthase, brain
Peptide A accession
P29475
Peptide B accession
P29475
Peptide A residue number
336
Peptide B residue number
336
Ligandability
4k5e B 598 B 599
A redox-regulated disulphide may form within Nitric oxide synthase, brain between cysteines 432 and 599 (598 and 599 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
51
PDB code
4k5e
Structure name
structure of neuronal nitric oxide synthase heme domain in complex with (r)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3- amine
Structure deposition date
2013-04-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
100
Peptide accession
P29476
Residue number A
432
Residue number B
599
Peptide name
Nitric oxide synthase, brain
Ligandability
Cysteine 432 of Nitric oxide synthase, brain
Cysteine 599 of Nitric oxide synthase, brain
Uncertain whether structure cysteine 598 has been assigned to correct residue.
1tll B 3244 B 3275
A redox-regulated disulphide may form within Nitric oxide synthase, brain between cysteines 1244 and 1275 (3244 and 3275 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
47
PDB code
1tll
Structure name
crystal structure of rat neuronal nitric-oxide synthase reductase module at 2
Structure deposition date
2004-06-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
70
Peptide accession
P29476
Residue number A
1244
Residue number B
1275
Peptide name
Nitric oxide synthase, brain
Ligandability
Cysteine 1244 of Nitric oxide synthase, brain
Cysteine 1275 of Nitric oxide synthase, brain
1tll A 939 A 943
A redox-regulated disulphide may form within Nitric oxide synthase, brain between cysteines 939 and 943. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
41
PDB code
1tll
Structure name
crystal structure of rat neuronal nitric-oxide synthase reductase module at 2
Structure deposition date
2004-06-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
48
Minimum pKa ?
9
% buried
16
Peptide accession
P29476
Residue number A
939
Residue number B
943
Peptide name
Nitric oxide synthase, brain
Ligandability
Cysteine 939 of Nitric oxide synthase, brain
Cysteine 943 of Nitric oxide synthase, brain
3jx0 A 668 A 672
A redox-regulated disulphide may form within Nitric oxide synthase, brain between cysteines 668 and 672. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
35
PDB code
3jx0
Structure name
structure of rat neuronal nitric oxide synthase d597n mutant heme domain in complex with n1-{(3's,4's)-4'-[(6"-amino-4"-methylpyridin- 2"-yl)methyl]pyrrolidin-3'-yl}-n2-(3'-fluorophenethyl)ethane-1,2- diamine
Structure deposition date
2009-09-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
9
% buried
60
Peptide accession
P29476
Residue number A
668
Residue number B
672
Peptide name
Nitric oxide synthase, brain
Ligandability
Cysteine 668 of Nitric oxide synthase, brain
Cysteine 672 of Nitric oxide synthase, brain
3nly B 415 B 672
A redox-regulated disulphide may form within Nitric oxide synthase, brain between cysteines 415 and 672. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
27
PDB code
3nly
Structure name
structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3r,4r)-4-(2- (2,2-difluoro-2-(4-fluorophenyl)ethylamino) ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Structure deposition date
2010-06-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
100
Peptide accession
P29476
Residue number A
415
Residue number B
672
Peptide name
Nitric oxide synthase, brain
Ligandability
Cysteine 415 of Nitric oxide synthase, brain
Cysteine 672 of Nitric oxide synthase, brain
1tll B 3211 B 3226
A redox-regulated disulphide may form within Nitric oxide synthase, brain between cysteines 1211 and 1226 (3211 and 3226 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
27
PDB code
1tll
Structure name
crystal structure of rat neuronal nitric-oxide synthase reductase module at 2
Structure deposition date
2004-06-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
100
Peptide accession
P29476
Residue number A
1211
Residue number B
1226
Peptide name
Nitric oxide synthase, brain
Ligandability
Cysteine 1211 of Nitric oxide synthase, brain
Cysteine 1226 of Nitric oxide synthase, brain
If this tool was useful for finding a disulphide, please cite: