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Bromine in PDB 1d0o: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present), PDB code: 1d0o was solved by C.S.Raman, H.Li, P.Martasek, G.J.Southan, B.S.S.Masters, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.590, 106.060, 155.780, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 24.7

Other elements in 1d0o:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present) also contains other interesting chemical elements:

Arsenic (As) 2 atoms
Iron (Fe) 2 atoms
Zinc (Zn) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present) (pdb code 1d0o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present), PDB code: 1d0o:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 1d0o

Go back to Bromine Binding Sites List in 1d0o
Bromine binding site 1 out of 4 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br760

b:27.5
occ:1.00
 BR A:INE760 0.0 27.5 1.0
C3 A:INE760 1.8 20.4 1.0
C9 A:INE760 2.8 21.9 1.0
N2 A:INE760 2.9 22.0 1.0
C4 A:INE760 3.4 22.1 1.0
CD1 A:PHE355 3.4 21.8 1.0
C1C A:HEM500 3.6 22.4 1.0
CE1 A:PHE355 3.6 22.8 1.0
CA A:SER356 3.7 20.2 1.0
O A:PRO336 3.7 24.0 1.0
O A:PHE355 3.8 25.4 1.0
C2C A:HEM500 3.8 22.3 1.0
NC A:HEM500 3.8 22.7 1.0
N A:GLY357 3.8 20.8 1.0
C A:SER356 3.9 19.8 1.0
C8 A:INE760 4.0 23.0 1.0
C4C A:HEM500 4.0 21.5 1.0
N1 A:INE760 4.0 23.2 1.0
C3C A:HEM500 4.1 21.3 1.0
CHC A:HEM500 4.1 22.8 1.0
N A:SER356 4.2 20.2 1.0
C A:PHE355 4.2 21.5 1.0
CG2 A:VAL338 4.3 16.3 1.0
CMC A:HEM500 4.4 23.6 1.0
N A:VAL338 4.5 18.8 1.0
C A:PRO336 4.5 21.9 1.0
CG A:PHE355 4.6 18.6 1.0
O A:SER356 4.7 25.2 1.0
CHD A:HEM500 4.7 22.5 1.0
CA A:GLY357 4.7 21.6 1.0
C4B A:HEM500 4.7 25.3 1.0
C5 A:INE760 4.7 21.6 1.0
FE A:HEM500 4.8 21.6 1.0
CA A:ALA337 4.9 21.5 1.0
CAC A:HEM500 4.9 19.5 1.0
CB A:VAL338 4.9 17.2 1.0
NB A:HEM500 4.9 17.4 1.0
CB A:SER356 5.0 24.9 1.0
CZ A:PHE355 5.0 24.4 1.0

Bromine binding site 2 out of 4 in 1d0o

Go back to Bromine Binding Sites List in 1d0o
Bromine binding site 2 out of 4 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br766

b:56.4
occ:1.00
 BR A:INE766 0.0 56.4 1.0
C3 A:INE766 1.9 46.5 1.0
C9 A:INE766 2.9 40.0 1.0
N2 A:INE766 3.0 45.3 1.0
O B:HOH1060 3.4 36.3 1.0
C4 A:INE766 3.5 36.3 1.0
CD2 B:TRP449 3.5 32.4 1.0
O B:HOH1012 3.5 49.2 1.0
CE3 B:TRP449 3.6 37.0 1.0
NH1 B:ARG367 3.6 25.0 1.0
CE2 B:TRP449 3.8 34.4 1.0
CZ3 B:TRP449 3.9 39.8 1.0
CZ A:PHE462 3.9 25.0 1.0
O B:ALA448 4.0 27.3 1.0
CG B:TRP449 4.0 30.9 1.0
C8 A:INE766 4.1 38.5 1.0
N1 A:INE766 4.1 41.8 1.0
CZ2 B:TRP449 4.1 39.0 1.0
CH2 B:TRP449 4.1 39.4 1.0
CE2 A:PHE462 4.3 26.8 1.0
CA B:TRP449 4.3 27.4 1.0
NE1 B:TRP449 4.4 32.1 1.0
CD1 B:TRP449 4.5 32.1 1.0
O B:HOH1014 4.6 46.9 1.0
CB B:TRP449 4.6 28.2 1.0
C B:ALA448 4.7 25.7 1.0
CZ B:ARG367 4.7 26.9 1.0
C5 A:INE766 4.8 36.2 1.0
N B:TRP449 4.9 26.8 1.0
CE1 A:PHE462 5.0 26.5 1.0

Bromine binding site 3 out of 4 in 1d0o

Go back to Bromine Binding Sites List in 1d0o
Bromine binding site 3 out of 4 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br765

b:58.7
occ:1.00
 BR B:INE765 0.0 58.7 1.0
C3 B:INE765 1.9 47.5 1.0
C9 B:INE765 2.9 44.7 1.0
N2 B:INE765 3.0 48.0 1.0
O A:HOH1113 3.5 34.4 1.0
C4 B:INE765 3.5 41.3 1.0
CD2 A:TRP449 3.5 29.4 1.0
CE3 A:TRP449 3.5 34.9 1.0
O A:HOH1146 3.6 41.1 1.0
NH1 A:ARG367 3.7 23.6 1.0
CZ B:PHE462 3.8 27.4 1.0
CE2 A:TRP449 3.9 30.3 1.0
CZ3 A:TRP449 3.9 41.3 1.0
CG A:TRP449 4.0 24.9 1.0
O A:HOH1127 4.0 46.1 1.0
O A:ALA448 4.0 25.7 1.0
C8 B:INE765 4.1 43.9 1.0
N1 B:INE765 4.1 45.0 1.0
CE2 B:PHE462 4.2 25.7 1.0
CA A:TRP449 4.2 25.2 1.0
CH2 A:TRP449 4.3 42.0 1.0
CZ2 A:TRP449 4.3 38.9 1.0
NE1 A:TRP449 4.5 31.4 1.0
CD1 A:TRP449 4.5 28.6 1.0
CB A:TRP449 4.5 20.5 1.0
C A:ALA448 4.7 24.4 1.0
N A:TRP449 4.8 25.5 1.0
CZ A:ARG367 4.8 22.4 1.0
C5 B:INE765 4.9 38.4 1.0
CE1 B:PHE462 4.9 27.4 1.0

Bromine binding site 4 out of 4 in 1d0o

Go back to Bromine Binding Sites List in 1d0o
Bromine binding site 4 out of 4 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br761

b:33.7
occ:1.00
 BR B:INE761 0.0 33.7 1.0
C3 B:INE761 1.8 35.0 1.0
C9 B:INE761 2.9 32.9 1.0
N2 B:INE761 3.0 33.7 1.0
O B:PRO336 3.4 26.9 1.0
C4 B:INE761 3.4 33.0 1.0
CD1 B:PHE355 3.5 28.5 1.0
CA B:SER356 3.6 24.3 1.0
C1C B:HEM500 3.7 26.8 1.0
N B:GLY357 3.8 25.3 1.0
O B:PHE355 3.8 27.8 1.0
NC B:HEM500 3.8 27.2 1.0
C B:SER356 3.8 25.3 1.0
C2C B:HEM500 3.9 30.0 1.0
CE1 B:PHE355 3.9 28.6 1.0
C8 B:INE761 4.0 36.3 1.0
N1 B:INE761 4.1 35.2 1.0
C4C B:HEM500 4.1 28.6 1.0
N B:SER356 4.1 24.6 1.0
CHC B:HEM500 4.1 25.2 1.0
C B:PHE355 4.1 27.4 1.0
C3C B:HEM500 4.2 30.9 1.0
CMC B:HEM500 4.4 27.4 1.0
C B:PRO336 4.4 25.1 1.0
CG2 B:VAL338 4.4 22.7 1.0
O B:SER356 4.5 25.4 1.0
N B:VAL338 4.6 24.6 1.0
CA B:GLY357 4.7 24.1 1.0
CG B:PHE355 4.7 28.7 1.0
C4B B:HEM500 4.7 29.4 1.0
C5 B:INE761 4.8 31.1 1.0
CHD B:HEM500 4.8 28.6 1.0
FE B:HEM500 4.8 26.0 1.0
CB B:SER356 4.8 25.9 1.0
NB B:HEM500 4.9 27.7 1.0
CB B:VAL338 4.9 24.0 1.0
CA B:ALA337 5.0 24.4 1.0
CG B:PRO336 5.0 20.9 1.0

Reference:

C.S.Raman, H.Li, P.Martasek, G.Southan, B.S.Masters, T.L.Poulos. Crystal Structure of Nitric Oxide Synthase Bound to Nitro Indazole Reveals A Novel Inactivation Mechanism. Biochemistry V. 40 13448 2001.
ISSN: ISSN 0006-2960
PubMed: 11695891
DOI: 10.1021/BI010957U
Page generated: Wed Jul 10 16:22:04 2024

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