Iron in PDB 2g6i: Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form

All present enzymatic activity of Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form:
1.14.13.39;

The structure of Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form, PDB code: 2g6i was solved by H.Li, J.Igarashi, J.Jamal, W.Yang, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.24 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.600, 110.580, 164.530, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.3

The structure of Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form (pdb code 2g6i). 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 Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form, PDB code: 2g6i:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:23.5 occ:1.00 FE A:HEM750 0.0 23.5 1.0 NC A:HEM750 2.0 22.2 1.0 NA A:HEM750 2.0 25.6 1.0 ND A:HEM750 2.1 26.4 1.0 NB A:HEM750 2.1 25.5 1.0 SG A:CYS415 2.3 25.9 1.0 C4C A:HEM750 3.0 24.6 1.0 C1C A:HEM750 3.0 25.5 1.0 C4A A:HEM750 3.1 25.9 1.0 C1A A:HEM750 3.1 25.0 1.0 C1B A:HEM750 3.1 24.6 1.0 C1D A:HEM750 3.1 25.0 1.0 C4B A:HEM750 3.1 25.2 1.0 C4D A:HEM750 3.1 25.6 1.0 CB A:CYS415 3.3 21.9 1.0 CHD A:HEM750 3.4 25.2 1.0 CHB A:HEM750 3.5 23.9 1.0 CHC A:HEM750 3.5 24.7 1.0 CHA A:HEM750 3.5 24.5 1.0 CA A:CYS415 4.1 22.2 1.0 NH1 A:ARG770 4.2 29.2 1.0 C3C A:HEM750 4.2 26.1 1.0 C2C A:HEM750 4.3 25.0 1.0 C2A A:HEM750 4.3 25.5 1.0 C3A A:HEM750 4.3 24.8 1.0 C2B A:HEM750 4.3 26.7 1.0 C2D A:HEM750 4.3 23.7 1.0 C3B A:HEM750 4.4 27.0 1.0 C3D A:HEM750 4.4 24.8 1.0 NE1 A:TRP409 4.4 24.7 1.0 CZ A:ARG770 4.6 30.1 1.0 N A:GLY417 4.8 24.1 1.0 C A:CYS415 4.9 22.7 1.0 NH2 A:ARG770 4.9 24.9 1.0 N A:VAL416 5.0 22.3 1.0

Iron binding site 2 out of 2 in the Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Rat Nnos Heme Domain (BH2-Bound) in the Reduced Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:22.7 occ:1.00 FE B:HEM750 0.0 22.7 1.0 NC B:HEM750 2.0 21.2 1.0 NB B:HEM750 2.0 22.8 1.0 ND B:HEM750 2.0 23.5 1.0 NA B:HEM750 2.0 24.5 1.0 SG B:CYS415 2.3 24.9 1.0 C4C B:HEM750 3.0 23.0 1.0 C1D B:HEM750 3.0 23.2 1.0 C1C B:HEM750 3.0 21.7 1.0 C4B B:HEM750 3.1 24.2 1.0 C1B B:HEM750 3.1 25.0 1.0 C1A B:HEM750 3.1 23.4 1.0 C4D B:HEM750 3.1 22.2 1.0 C4A B:HEM750 3.1 25.1 1.0 CB B:CYS415 3.3 20.2 1.0 CHD B:HEM750 3.4 23.4 1.0 CHC B:HEM750 3.4 20.8 1.0 CHA B:HEM750 3.5 21.6 1.0 CHB B:HEM750 3.5 25.9 1.0 NH1 B:ARG771 4.1 27.8 1.0 CA B:CYS415 4.1 20.4 1.0 C2C B:HEM750 4.3 23.3 1.0 C3C B:HEM750 4.3 25.1 1.0 C3B B:HEM750 4.3 26.9 1.0 C2B B:HEM750 4.3 24.8 1.0 C2D B:HEM750 4.3 23.1 1.0 C2A B:HEM750 4.3 23.4 1.0 C3A B:HEM750 4.4 22.9 1.0 C3D B:HEM750 4.4 25.7 1.0 NE1 B:TRP409 4.4 22.2 1.0 CZ B:ARG771 4.5 29.6 1.0 NH2 B:ARG771 4.8 26.6 1.0 N B:GLY417 4.8 22.6 1.0 C B:CYS415 4.9 23.2 1.0 N B:VAL416 5.0 20.6 1.0

H.Li, J.Igarashi, J.Jamal, W.Yang, T.L.Poulos. Structural Studies of Constitutive Nitric Oxide Synthases with Diatomic Ligands Bound. J.Biol.Inorg.Chem. V. 11 753 2006.
ISSN: ISSN 0949-8257
PubMed: 16804678
DOI: 10.1007/S00775-006-0123-8