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Arsenic in PDB 1fop: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound), PDB code: 1fop was solved by C.S.Raman, H.Li, P.Martasek, 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) 39.19 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.549, 106.247, 156.743, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 27.7

Other elements in 1fop:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound) also contains other interesting chemical elements:

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 L- Arg and No(H4B-Bound) (pdb code 1fop). 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 L- Arg and No(H4B-Bound), PDB code: 1fop:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1fop

Go back to Arsenic Binding Sites List in 1fop
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound)


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 L- Arg and No(H4B-Bound) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As1950

b:70.2
occ:1.00
AS A:CAC1950 0.0 70.2 1.0
C2 A:CAC1950 1.8 65.8 1.0
C1 A:CAC1950 1.8 65.3 1.0
SG A:CYS384 2.3 60.3 1.0
CB A:CYS384 3.3 51.7 1.0
CA A:CYS384 4.1 49.7 1.0
CE3 A:TRP324 4.4 44.8 1.0
CD1 A:LEU328 4.5 38.4 1.0
CD2 A:TRP324 4.6 45.0 1.0
CB A:TRP324 4.7 45.3 1.0
CG A:TRP324 4.8 44.9 1.0
N A:CYS384 4.9 48.0 1.0
CZ3 A:TRP324 5.0 45.1 1.0

Arsenic binding site 2 out of 2 in 1fop

Go back to Arsenic Binding Sites List in 1fop
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound)


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 L- Arg and No(H4B-Bound) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As2950

b:84.6
occ:1.00
AS B:CAC2950 0.0 84.6 1.0
C1 B:CAC2950 1.8 82.2 1.0
C2 B:CAC2950 1.8 81.3 1.0
SG B:CYS384 2.3 76.0 1.0
CB B:CYS384 3.1 68.3 1.0
CA B:CYS384 3.7 66.4 1.0
CE3 B:TRP324 4.4 68.8 1.0
CD2 B:TRP324 4.6 68.9 1.0
N B:CYS384 4.7 64.8 1.0
CG B:TRP324 4.7 68.7 1.0
CB B:TRP324 4.7 68.1 1.0
C B:CYS384 4.8 65.8 1.0
O B:CYS384 4.8 65.9 1.0
CD2 B:LEU328 4.9 62.0 1.0

Reference:

H.Li, C.S.Raman, P.Martasek, B.S.Masters, T.L.Poulos. Crystallographic Studies on Endothelial Nitric Oxide Synthase Complexed with Nitric Oxide and Mechanism-Based Inhibitors. Biochemistry V. 40 5399 2001.
ISSN: ISSN 0006-2960
PubMed: 11331003
DOI: 10.1021/BI002658V
Page generated: Tue Oct 27 16:46:35 2020

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