Arsenic in PDB 1d0c: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Free)

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

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Free), PDB code: 1d0c 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)	8.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.440, 105.980, 155.790, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 25.9

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

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

The binding sites of Arsenic atom in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (H4B Free) (pdb code 1d0c). 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 Free), PDB code: 1d0c:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (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 3- Bromo-7-Nitroindazole (H4B Free) within 5.0Å range: probe atom residue distance (Å) B Occ A:As950 b:24.9 occ:1.00 AS A:CAD950 0.0 24.9 1.0 C1 A:CAD950 1.8 53.3 1.0 C2 A:CAD950 1.8 47.6 1.0 SG A:CYS384 2.4 28.5 1.0 CB A:CYS384 3.2 27.4 1.0 CA A:CYS384 3.9 20.0 1.0 CE3 A:TRP324 4.5 22.6 1.0 CD1 A:LEU328 4.6 29.6 1.0 N A:CYS384 4.7 23.3 1.0 CD2 A:TRP324 4.8 25.5 1.0 CB A:TRP324 5.0 27.9 1.0 CG A:TRP324 5.0 31.5 1.0 C A:CYS384 5.0 21.7 1.0

Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 3- Bromo-7-Nitroindazole (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 3- Bromo-7-Nitroindazole (H4B Free) within 5.0Å range: probe atom residue distance (Å) B Occ B:As951 b:19.7 occ:1.00 AS B:CAD951 0.0 19.7 1.0 C2 B:CAD951 1.8 50.8 1.0 C1 B:CAD951 1.8 38.8 1.0 SG B:CYS384 2.4 38.0 1.0 CB B:CYS384 3.2 39.0 1.0 O B:HOH1237 3.8 49.5 1.0 CA B:CYS384 3.8 31.2 1.0 CB B:TRP324 4.1 40.6 1.0 CE3 B:TRP324 4.2 37.4 1.0 CG B:TRP324 4.2 41.0 1.0 CD2 B:TRP324 4.3 42.2 1.0 O B:HOH1120 4.4 58.3 1.0 N B:CYS384 4.8 34.7 1.0 C B:CYS384 4.8 31.2 1.0 O B:CYS384 4.9 35.1 1.0 O B:TRP324 4.9 38.1 1.0 CZ3 B:TRP324 5.0 31.6 1.0

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