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Arsenic in PDB 1ed5: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Nna(H4B Free)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Nna(H4B Free)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Nna(H4B Free):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Nna(H4B Free), PDB code: 1ed5 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) 39.46 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.826, 106.417, 156.163, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 23.8

Other elements in 1ed5:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Nna(H4B Free) 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 Nna(H4B Free) (pdb code 1ed5). 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 Nna(H4B Free), PDB code: 1ed5:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1ed5

Go back to Arsenic Binding Sites List in 1ed5
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Nna(H4B Free)


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 Nna(H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As1950

b:55.9
occ:1.00
AS A:CAD1950 0.0 55.9 1.0
C1 A:CAD1950 1.8 36.5 1.0
C2 A:CAD1950 1.8 42.0 1.0
SG A:CYS384 2.3 34.8 1.0
CB A:CYS384 3.4 30.6 1.0
CA A:CYS384 4.0 29.7 1.0
CE3 A:TRP324 4.4 33.1 1.0
CD1 A:LEU328 4.6 37.8 1.0
CD2 A:TRP324 4.8 30.4 1.0
N A:CYS384 4.9 31.0 1.0
CZ3 A:TRP324 5.0 31.3 1.0

Arsenic binding site 2 out of 2 in 1ed5

Go back to Arsenic Binding Sites List in 1ed5
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Nna(H4B Free)


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 Nna(H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As2950

b:48.3
occ:1.00
AS B:CAD2950 0.0 48.3 1.0
C1 B:CAD2950 1.8 51.2 1.0
C2 B:CAD2950 1.8 49.5 1.0
SG B:CYS384 2.3 38.0 1.0
CB B:CYS384 3.2 38.3 1.0
CA B:CYS384 3.8 38.2 1.0
CE3 B:TRP324 4.5 46.4 1.0
CB B:TRP324 4.6 43.2 1.0
CD2 B:TRP324 4.7 45.9 1.0
CG B:TRP324 4.7 46.2 1.0
N B:CYS384 4.7 41.9 1.0
C B:CYS384 4.9 39.5 1.0
O B:CYS384 4.9 38.6 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 16:46:24 2020

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