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Arsenic in PDB 1dm6: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free), PDB code: 1dm6 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) 28.20 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.880, 106.430, 155.920, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 25.5

Other elements in 1dm6:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Chlorine (Cl) 4 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 N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) (pdb code 1dm6). 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 N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free), PDB code: 1dm6:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1dm6

Go back to Arsenic Binding Sites List in 1dm6
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (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 N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:46.0
occ:1.00
 AS A:CAC950 0.0 46.0 1.0
C1 A:CAC950 1.8 41.2 1.0
C2 A:CAC950 1.8 41.3 1.0
SG A:CYS384 2.3 37.9 1.0
CB A:CYS384 3.3 33.7 1.0
CA A:CYS384 3.9 32.4 1.0
O A:HOH2829 4.6 27.8 1.0
CE3 A:TRP324 4.6 33.1 1.0
CD1 A:LEU328 4.6 32.9 1.0
N A:CYS384 4.8 31.9 1.0
CD2 A:TRP324 4.9 32.1 1.0

Arsenic binding site 2 out of 2 in 1dm6

Go back to Arsenic Binding Sites List in 1dm6
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (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 N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:51.4
occ:1.00
 AS B:CAC950 0.0 51.4 1.0
C1 B:CAC950 1.8 51.9 1.0
C2 B:CAC950 1.8 51.8 1.0
SG B:CYS384 2.3 48.2 1.0
CB B:CYS384 3.1 45.8 1.0
CA B:CYS384 3.6 45.2 1.0
CE3 B:TRP324 4.3 46.0 1.0
CD2 B:TRP324 4.6 46.8 1.0
N B:CYS384 4.6 44.2 1.0
CB B:TRP324 4.6 45.8 1.0
C B:CYS384 4.7 45.1 1.0
CG B:TRP324 4.7 46.5 1.0
O B:CYS384 4.8 45.0 1.0
CZ3 B:TRP324 4.9 45.4 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: Sat Dec 12 01:36:10 2020

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