Iron in PDB 2nse: Bovine Endothelial Nitric Oxide Synthase Substrate Complex

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Substrate Complex:
1.14.13.39;

The structure of Bovine Endothelial Nitric Oxide Synthase Substrate Complex, PDB code: 2nse was solved by C.S.Raman, H.Li, P.Martasek, V.Kral, 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 / 2.34
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.060, 106.380, 156.380, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 30.5

The structure of Bovine Endothelial Nitric Oxide Synthase Substrate Complex also contains other interesting chemical elements:

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

The binding sites of Iron atom in the Bovine Endothelial Nitric Oxide Synthase Substrate Complex (pdb code 2nse). 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 Substrate Complex, PDB code: 2nse:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Substrate Complex


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 Substrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:15.7 occ:1.00 FE A:HEM500 0.0 15.7 1.0 ND A:HEM500 1.9 4.1 1.0 NB A:HEM500 1.9 4.9 1.0 NA A:HEM500 2.0 17.1 1.0 NC A:HEM500 2.0 25.7 1.0 SG A:CYS186 2.2 28.9 1.0 C4D A:HEM500 2.9 15.4 1.0 C1D A:HEM500 3.0 16.4 1.0 C1B A:HEM500 3.0 15.1 1.0 C4B A:HEM500 3.0 16.6 1.0 C1A A:HEM500 3.0 7.0 1.0 C4A A:HEM500 3.0 12.2 1.0 C1C A:HEM500 3.1 13.2 1.0 C4C A:HEM500 3.1 18.3 1.0 CB A:CYS186 3.2 23.0 1.0 CHA A:HEM500 3.3 9.4 1.0 CHC A:HEM500 3.4 8.6 1.0 CHD A:HEM500 3.4 20.6 1.0 CHB A:HEM500 3.4 11.1 1.0 CA A:CYS186 3.9 21.9 1.0 NH1 A:ARG700 4.0 25.1 1.0 C3D A:HEM500 4.2 14.3 1.0 C2D A:HEM500 4.2 7.9 1.0 C2B A:HEM500 4.2 12.0 1.0 C3B A:HEM500 4.2 21.2 1.0 C2A A:HEM500 4.2 13.4 1.0 C3A A:HEM500 4.3 5.7 1.0 C2C A:HEM500 4.3 16.8 1.0 C3C A:HEM500 4.3 16.6 1.0 CZ A:ARG700 4.4 25.3 1.0 NE1 A:TRP180 4.5 15.2 1.0 NH2 A:ARG700 4.8 15.0 1.0 C A:CYS186 4.8 22.6 1.0 N A:VAL187 4.9 16.6 1.0 N A:GLY188 4.9 25.3 1.0 NE A:ARG700 4.9 28.6 1.0

Iron binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Substrate Complex


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 Substrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:29.4 occ:1.00 FE B:HEM500 0.0 29.4 1.0 ND B:HEM500 2.0 31.3 1.0 NB B:HEM500 2.0 37.9 1.0 NA B:HEM500 2.0 40.7 1.0 NC B:HEM500 2.0 37.7 1.0 SG B:CYS186 2.2 23.9 1.0 C1D B:HEM500 3.0 37.8 1.0 C4D B:HEM500 3.0 33.6 1.0 C4B B:HEM500 3.0 40.9 1.0 C1A B:HEM500 3.0 38.1 1.0 C1B B:HEM500 3.1 37.1 1.0 C4C B:HEM500 3.1 34.5 1.0 C1C B:HEM500 3.1 33.4 1.0 C4A B:HEM500 3.1 34.9 1.0 NH1 B:ARG700 3.2 41.7 1.0 CHD B:HEM500 3.4 40.0 1.0 CHA B:HEM500 3.4 36.7 1.0 CHC B:HEM500 3.4 35.9 1.0 CHB B:HEM500 3.5 35.9 1.0 CB B:CYS186 3.5 34.4 1.0 NE1 B:TRP180 4.1 34.7 1.0 CA B:CYS186 4.1 29.8 1.0 CZ B:ARG700 4.2 39.9 1.0 C3D B:HEM500 4.3 34.9 1.0 C2D B:HEM500 4.3 33.4 1.0 C2A B:HEM500 4.3 35.2 1.0 C3B B:HEM500 4.3 41.9 1.0 C2B B:HEM500 4.3 36.7 1.0 C3A B:HEM500 4.3 33.3 1.0 C2C B:HEM500 4.3 32.4 1.0 C3C B:HEM500 4.3 35.4 1.0 NH2 B:ARG700 4.7 33.7 1.0 N B:GLY188 4.7 31.2 1.0 N B:VAL187 4.8 23.9 1.0 CD1 B:TRP180 4.9 31.8 1.0 C B:CYS186 4.9 29.1 1.0 CE2 B:TRP180 5.0 38.3 1.0

C.S.Raman, H.Li, P.Martasek, V.Kral, B.S.Masters, T.L.Poulos. Crystal Structure of Constitutive Endothelial Nitric Oxide Synthase: A Paradigm For Pterin Function Involving A Novel Metal Center. Cell(Cambridge,Mass.) V. 95 939 1998.
ISSN: ISSN 0092-8674
PubMed: 9875848
DOI: 10.1016/S0092-8674(00)81718-3