Iron in PDB 3nse: Bovine Enos, H4B-Free, Seitu Complex

All present enzymatic activity of Bovine Enos, H4B-Free, Seitu Complex:
1.14.13.39;

The structure of Bovine Enos, H4B-Free, Seitu Complex, PDB code: 3nse 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 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.170, 107.140, 156.530, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 25.2

The structure of Bovine Enos, H4B-Free, Seitu Complex also contains other interesting chemical elements:

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

The binding sites of Iron atom in the Bovine Enos, H4B-Free, Seitu Complex (pdb code 3nse). 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 Enos, H4B-Free, Seitu Complex, PDB code: 3nse:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Bovine Enos, H4B-Free, Seitu Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bovine Enos, H4B-Free, Seitu Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:20.0 occ:1.00 FE A:HEM500 0.0 20.0 1.0 NB A:HEM500 1.9 12.0 1.0 ND A:HEM500 1.9 11.1 1.0 NA A:HEM500 2.0 15.1 1.0 NC A:HEM500 2.0 13.5 1.0 SG A:CYS186 2.2 14.1 1.0 C1B A:HEM500 3.0 16.4 1.0 C4D A:HEM500 3.0 18.3 1.0 C1D A:HEM500 3.0 19.8 1.0 C4B A:HEM500 3.0 14.3 1.0 C4A A:HEM500 3.1 13.3 1.0 C1C A:HEM500 3.1 12.7 1.0 C1A A:HEM500 3.1 15.2 1.0 C4C A:HEM500 3.1 15.1 1.0 CB A:CYS186 3.2 16.8 1.0 CHC A:HEM500 3.4 12.2 1.0 CHB A:HEM500 3.4 14.4 1.0 CHA A:HEM500 3.4 13.3 1.0 CHD A:HEM500 3.5 17.1 1.0 CA A:CYS186 4.0 14.2 1.0 C2 A:ITU800 4.1 6.5 1.0 S A:ITU800 4.2 15.9 1.0 C2B A:HEM500 4.2 13.9 1.0 C3D A:HEM500 4.2 18.1 1.0 C2D A:HEM500 4.2 16.1 1.0 C3B A:HEM500 4.3 15.6 1.0 C2A A:HEM500 4.3 17.2 1.0 C3A A:HEM500 4.3 14.8 1.0 C2C A:HEM500 4.3 13.3 1.0 C3C A:HEM500 4.4 15.2 1.0 NE1 A:TRP180 4.4 11.6 1.0 C3 A:ITU800 4.6 13.0 1.0 N1 A:ITU800 4.7 19.1 1.0 C A:CYS186 4.8 14.3 1.0 N A:GLY188 4.8 18.1 1.0 N A:VAL187 4.9 13.9 1.0

Iron binding site 2 out of 2 in the Bovine Enos, H4B-Free, Seitu Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bovine Enos, H4B-Free, Seitu Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:31.9 occ:1.00 FE B:HEM500 0.0 31.9 1.0 ND B:HEM500 2.0 23.8 1.0 NB B:HEM500 2.0 21.4 1.0 NA B:HEM500 2.0 23.6 1.0 NC B:HEM500 2.0 21.7 1.0 SG B:CYS186 2.3 17.8 1.0 C4D B:HEM500 3.0 23.3 1.0 C1D B:HEM500 3.0 23.3 1.0 C4B B:HEM500 3.1 20.8 1.0 C1C B:HEM500 3.1 18.2 1.0 C1A B:HEM500 3.1 21.6 1.0 C4C B:HEM500 3.1 19.3 1.0 C1B B:HEM500 3.1 19.3 1.0 C4A B:HEM500 3.1 19.9 1.0 CHC B:HEM500 3.4 16.6 1.0 CHA B:HEM500 3.4 21.2 1.0 CB B:CYS186 3.4 17.6 1.0 CHD B:HEM500 3.5 20.7 1.0 CHB B:HEM500 3.5 17.7 1.0 C2 B:ITU800 4.0 16.7 1.0 S B:ITU800 4.0 23.5 1.0 CA B:CYS186 4.2 18.5 1.0 NE1 B:TRP180 4.2 14.9 1.0 C3D B:HEM500 4.3 23.6 1.0 C2D B:HEM500 4.3 22.3 1.0 C3B B:HEM500 4.3 19.3 1.0 C2C B:HEM500 4.3 17.3 1.0 C2B B:HEM500 4.3 17.3 1.0 C2A B:HEM500 4.3 23.3 1.0 C3C B:HEM500 4.3 21.1 1.0 C3A B:HEM500 4.3 19.6 1.0 N1 B:ITU800 4.4 19.3 1.0 C3 B:ITU800 4.4 21.6 1.0 N B:GLY188 4.8 17.5 1.0 C B:CYS186 4.9 17.6 1.0 CD1 B:TRP180 5.0 17.6 1.0 N B:VAL187 5.0 19.1 1.0 O B:HOH1103 5.0 46.8 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