Iron in PDB 4d1o: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound

All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound:
1.14.13.39;

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound, PDB code: 4d1o was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.392 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.395, 110.091, 153.322, 90.00, 90.00, 90.00
R / Rfree (%)	15.48 / 19.2

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound also contains other interesting chemical elements:

Gadolinium	(Gd)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Iron atom in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound (pdb code 4d1o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound, PDB code: 4d1o:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:17.9 occ:1.00 FE A:HEM500 0.0 17.9 1.0 NC A:HEM500 2.1 18.7 1.0 NA A:HEM500 2.1 20.9 1.0 ND A:HEM500 2.1 15.1 1.0 NB A:HEM500 2.1 14.8 1.0 SG A:CYS184 2.4 17.0 1.0 C4D A:HEM500 3.1 18.9 1.0 C1A A:HEM500 3.1 15.3 1.0 C1C A:HEM500 3.1 22.2 1.0 C4C A:HEM500 3.1 15.4 1.0 C1D A:HEM500 3.1 18.7 1.0 C1B A:HEM500 3.1 18.9 1.0 C4A A:HEM500 3.1 16.7 1.0 C4B A:HEM500 3.1 21.7 1.0 CB A:CYS184 3.3 17.0 1.0 CHA A:HEM500 3.4 13.8 1.0 CHC A:HEM500 3.5 18.6 1.0 CHD A:HEM500 3.5 20.8 1.0 CHB A:HEM500 3.5 21.9 1.0 NH1 A:ARG700 3.9 24.6 1.0 CA A:CYS184 4.1 15.2 1.0 NE1 A:TRP178 4.2 18.3 1.0 C3D A:HEM500 4.3 15.5 1.0 C2C A:HEM500 4.3 24.0 1.0 C3C A:HEM500 4.3 19.8 1.0 C2A A:HEM500 4.3 16.5 1.0 C2B A:HEM500 4.3 16.6 1.0 C3A A:HEM500 4.3 19.5 1.0 C2D A:HEM500 4.3 17.2 1.0 C3B A:HEM500 4.4 18.8 1.0 CZ A:ARG700 4.4 29.9 1.0 N A:GLY186 4.8 20.1 1.0 C A:CYS184 4.8 16.4 1.0 NH2 A:ARG700 4.9 21.4 1.0 CD1 A:TRP178 4.9 19.0 1.0 N A:VAL185 4.9 13.3 1.0

Iron binding site 2 out of 2 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain with L-Arg Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:15.9 occ:1.00 FE B:HEM500 0.0 15.9 1.0 NC B:HEM500 2.0 15.4 1.0 NA B:HEM500 2.1 15.9 1.0 ND B:HEM500 2.1 16.9 1.0 NB B:HEM500 2.1 15.4 1.0 SG B:CYS184 2.4 15.0 1.0 C4C B:HEM500 3.0 14.8 1.0 C1D B:HEM500 3.1 17.8 1.0 C4A B:HEM500 3.1 18.1 1.0 C1A B:HEM500 3.1 15.0 1.0 C4D B:HEM500 3.1 17.7 1.0 C1C B:HEM500 3.1 16.5 1.0 C1B B:HEM500 3.1 15.2 1.0 C4B B:HEM500 3.1 16.9 1.0 CB B:CYS184 3.4 12.9 1.0 CHD B:HEM500 3.4 12.0 1.0 CHB B:HEM500 3.5 14.3 1.0 CHA B:HEM500 3.5 13.5 1.0 CHC B:HEM500 3.5 14.4 1.0 NH1 B:ARG700 4.0 22.5 1.0 CA B:CYS184 4.1 13.5 1.0 C3C B:HEM500 4.3 16.1 1.0 C3A B:HEM500 4.3 14.0 1.0 C2D B:HEM500 4.3 16.2 1.0 C2A B:HEM500 4.3 16.6 1.0 C2C B:HEM500 4.3 14.5 1.0 C2B B:HEM500 4.3 14.6 1.0 C3D B:HEM500 4.3 14.7 1.0 C3B B:HEM500 4.3 13.3 1.0 NE1 B:TRP178 4.3 12.3 1.0 CZ B:ARG700 4.5 23.1 1.0 N B:GLY186 4.8 12.0 1.0 C B:CYS184 4.9 15.2 1.0 NH2 B:ARG700 4.9 21.5 1.0 N B:VAL185 5.0 15.9 1.0

H.Li, J.Jamal, C.Plaza, S.H.Pineda, G.Chreifi, Q.Jing, M.A.Cinelli, R.B.Silverman, T.L.Poulos. Structures of Human Constitutive Nitric Oxide Synthases Acta Crystallogr.,Sect.D V. 70 2667 2014.
ISSN: ISSN 0907-4449
PubMed: 25286850
DOI: 10.1107/S1399004714017064