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Arsenic 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:

Bromine (Br) 4 atoms
Iron (Fe) 2 atoms
Zinc (Zn) 1 atom

Arsenic Binding Sites:

The binding sites of Arsenic 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 Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Present), PDB code: 1d0o:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1d0o

Go back to Arsenic Binding Sites List in 1d0o
Arsenic binding site 1 out of 2 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 Arsenic with other atoms in the As 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:As950

b:64.3
occ:1.00
AS A:CAD950 0.0 64.3 1.0
C1 A:CAD950 1.8 53.7 1.0
C2 A:CAD950 1.8 52.2 1.0
SG A:CYS384 2.4 42.9 1.0
CB A:CYS384 3.2 32.5 1.0
CA A:CYS384 3.8 30.7 1.0
CE3 A:TRP324 4.1 31.9 1.0
CD2 A:TRP324 4.5 31.7 1.0
CD1 A:LEU328 4.6 31.5 1.0
CZ3 A:TRP324 4.7 33.2 1.0
CB A:TRP324 4.7 35.3 1.0
CG A:TRP324 4.7 32.4 1.0
N A:CYS384 4.8 31.5 1.0
C A:CYS384 4.8 31.5 1.0
O A:CYS384 4.9 32.1 1.0

Arsenic binding site 2 out of 2 in 1d0o

Go back to Arsenic Binding Sites List in 1d0o
Arsenic binding site 2 out of 2 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 Arsenic with other atoms in the As 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
B:As951

b:72.5
occ:1.00
AS B:CAD951 0.0 72.5 1.0
C2 B:CAD951 1.8 69.6 1.0
C1 B:CAD951 1.8 68.6 1.0
SG B:CYS384 2.3 61.3 1.0
CB B:CYS384 3.1 48.8 1.0
CE3 B:TRP324 3.7 51.0 1.0
CA B:CYS384 3.9 47.0 1.0
CB B:TRP324 4.0 47.5 1.0
CD2 B:TRP324 4.0 51.7 1.0
CG B:TRP324 4.1 51.5 1.0
CZ3 B:TRP324 4.5 50.6 1.0
O B:TRP324 4.6 45.9 1.0
C B:CYS384 4.9 45.2 1.0
N B:CYS384 4.9 45.9 1.0
O B:CYS384 5.0 46.6 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: Tue Oct 27 16:46:09 2020

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