Iron in PDB 1d0o: 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;

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

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
Arsenic	(As)	2 atoms
Zinc	(Zn)	1 atom

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

Iron 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 Iron with other atoms in the Fe 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:Fe500 b:21.6 occ:1.00 FE A:HEM500 0.0 21.6 1.0 NB A:HEM500 1.9 17.4 1.0 ND A:HEM500 2.0 19.0 1.0 NC A:HEM500 2.0 22.7 1.0 NA A:HEM500 2.0 23.4 1.0 SG A:CYS186 2.2 22.2 1.0 C4B A:HEM500 3.0 25.3 1.0 C4D A:HEM500 3.0 24.2 1.0 C1C A:HEM500 3.0 22.4 1.0 C1B A:HEM500 3.0 23.7 1.0 C1D A:HEM500 3.1 24.3 1.0 C1A A:HEM500 3.1 18.4 1.0 C4C A:HEM500 3.1 21.5 1.0 C4A A:HEM500 3.1 19.0 1.0 CB A:CYS186 3.3 22.2 1.0 CHC A:HEM500 3.3 22.8 1.0 CHA A:HEM500 3.4 19.0 1.0 CHD A:HEM500 3.5 22.5 1.0 CHB A:HEM500 3.5 22.9 1.0 CA A:CYS186 4.0 19.0 1.0 C9 A:INE760 4.0 21.9 1.0 C4 A:INE760 4.1 22.1 1.0 C3B A:HEM500 4.2 23.7 1.0 C2B A:HEM500 4.2 20.7 1.0 C3D A:HEM500 4.2 25.9 1.0 C3 A:INE760 4.2 20.4 1.0 C2C A:HEM500 4.3 22.3 1.0 C2D A:HEM500 4.3 23.2 1.0 C2A A:HEM500 4.3 22.0 1.0 C3A A:HEM500 4.3 21.2 1.0 C3C A:HEM500 4.4 21.3 1.0 NE1 A:TRP180 4.4 17.3 1.0 C8 A:INE760 4.4 23.0 1.0 C5 A:INE760 4.6 21.6 1.0 N2 A:INE760 4.7 22.0 1.0 N1 A:INE760 4.8 23.2 1.0 C A:CYS186 4.8 18.3 1.0 BR A:INE760 4.8 27.5 1.0 C7 A:INE760 4.8 21.8 1.0 N A:GLY188 4.9 24.0 1.0 N A:VAL187 4.9 18.1 1.0 C6 A:INE760 4.9 18.9 1.0 CD1 A:TRP180 5.0 19.2 1.0

Iron 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 Iron with other atoms in the Fe 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:Fe500 b:26.0 occ:1.00 FE B:HEM500 0.0 26.0 1.0 ND B:HEM500 2.0 29.6 1.0 NB B:HEM500 2.0 27.7 1.0 NC B:HEM500 2.0 27.2 1.0 NA B:HEM500 2.0 31.2 1.0 SG B:CYS186 2.2 26.2 1.0 C4B B:HEM500 3.0 29.4 1.0 C4D B:HEM500 3.0 31.4 1.0 C1D B:HEM500 3.0 31.0 1.0 C1C B:HEM500 3.1 26.8 1.0 C1A B:HEM500 3.1 29.4 1.0 C4C B:HEM500 3.1 28.6 1.0 C1B B:HEM500 3.1 26.2 1.0 C4A B:HEM500 3.1 26.8 1.0 CB B:CYS186 3.4 24.2 1.0 CHC B:HEM500 3.4 25.2 1.0 CHA B:HEM500 3.4 29.4 1.0 CHD B:HEM500 3.4 28.6 1.0 CHB B:HEM500 3.5 26.4 1.0 C9 B:INE761 4.0 32.9 1.0 CA B:CYS186 4.0 23.3 1.0 C4 B:INE761 4.1 33.0 1.0 C3 B:INE761 4.2 35.0 1.0 C3B B:HEM500 4.3 28.5 1.0 C3D B:HEM500 4.3 30.8 1.0 C2D B:HEM500 4.3 30.7 1.0 C2B B:HEM500 4.3 26.7 1.0 C3A B:HEM500 4.3 28.9 1.0 C2C B:HEM500 4.3 30.0 1.0 C2A B:HEM500 4.3 32.4 1.0 NE1 B:TRP180 4.3 25.5 1.0 C3C B:HEM500 4.4 30.9 1.0 C8 B:INE761 4.4 36.3 1.0 C5 B:INE761 4.6 31.1 1.0 N2 B:INE761 4.7 33.7 1.0 N1 B:INE761 4.8 35.2 1.0 C B:CYS186 4.8 20.9 1.0 N B:GLY188 4.8 23.6 1.0 BR B:INE761 4.8 33.7 1.0 N B:VAL187 4.9 20.9 1.0 C7 B:INE761 4.9 37.8 1.0 CD1 B:TRP180 5.0 26.4 1.0 C6 B:INE761 5.0 34.9 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