Iron in PDB 2g6h: Structure of Rat Nnos Heme Domain (BH4 Bound) in the Reduced Form

All present enzymatic activity of Structure of Rat Nnos Heme Domain (BH4 Bound) in the Reduced Form:
1.14.13.39;

The structure of Structure of Rat Nnos Heme Domain (BH4 Bound) in the Reduced Form, PDB code: 2g6h 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)	49.13 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.800, 110.960, 164.380, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 25.6

The structure of Structure of Rat Nnos Heme Domain (BH4 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 (BH4 Bound) in the Reduced Form (pdb code 2g6h). 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 (BH4 Bound) in the Reduced Form, PDB code: 2g6h:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Rat Nnos Heme Domain (BH4 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 (BH4 Bound) in the Reduced Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:24.6 occ:1.00 FE A:HEM750 0.0 24.6 1.0 NC A:HEM750 2.0 22.1 1.0 NA A:HEM750 2.1 25.4 1.0 ND A:HEM750 2.1 25.6 1.0 NB A:HEM750 2.1 24.3 1.0 SG A:CYS415 2.4 24.2 1.0 C1C A:HEM750 3.0 25.2 1.0 C4C A:HEM750 3.0 24.7 1.0 C4A A:HEM750 3.1 24.5 1.0 C4B A:HEM750 3.1 24.5 1.0 C4D A:HEM750 3.1 25.7 1.0 C1B A:HEM750 3.1 23.1 1.0 C1D A:HEM750 3.1 24.5 1.0 C1A A:HEM750 3.1 25.5 1.0 CB A:CYS415 3.3 23.9 1.0 CHC A:HEM750 3.4 23.9 1.0 CHD A:HEM750 3.4 25.5 1.0 CHB A:HEM750 3.4 23.1 1.0 CHA A:HEM750 3.5 24.6 1.0 CA A:CYS415 4.1 22.6 1.0 NH1 A:ARG770 4.1 29.4 1.0 C3C A:HEM750 4.3 25.9 1.0 C2C A:HEM750 4.3 26.2 1.0 C3A A:HEM750 4.3 26.4 1.0 C3D A:HEM750 4.3 26.1 1.0 C2A A:HEM750 4.3 24.3 1.0 C3B A:HEM750 4.3 25.8 1.0 NE1 A:TRP409 4.4 28.3 1.0 C2B A:HEM750 4.4 24.9 1.0 C2D A:HEM750 4.4 26.1 1.0 CZ A:ARG770 4.6 30.4 1.0 C A:CYS415 4.9 23.5 1.0 N A:GLY417 4.9 22.2 1.0 N A:VAL416 4.9 23.4 1.0 NH2 A:ARG770 5.0 28.2 1.0

Iron binding site 2 out of 2 in the Structure of Rat Nnos Heme Domain (BH4 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 (BH4 Bound) in the Reduced Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:25.0 occ:1.00 FE B:HEM750 0.0 25.0 1.0 NB B:HEM750 2.0 25.6 1.0 NC B:HEM750 2.0 21.9 1.0 ND B:HEM750 2.0 24.8 1.0 NA B:HEM750 2.1 25.1 1.0 SG B:CYS415 2.4 22.6 1.0 C4B B:HEM750 3.0 26.1 1.0 C4C B:HEM750 3.0 22.6 1.0 C1C B:HEM750 3.1 22.3 1.0 C1D B:HEM750 3.1 23.9 1.0 C1B B:HEM750 3.1 25.3 1.0 C1A B:HEM750 3.1 22.6 1.0 C4D B:HEM750 3.1 24.6 1.0 C4A B:HEM750 3.1 23.4 1.0 CB B:CYS415 3.3 18.8 1.0 CHC B:HEM750 3.4 21.5 1.0 CHD B:HEM750 3.4 24.2 1.0 CHA B:HEM750 3.5 22.8 1.0 CHB B:HEM750 3.5 25.3 1.0 CA B:CYS415 4.1 21.2 1.0 NH1 B:ARG771 4.2 26.4 1.0 C3B B:HEM750 4.3 26.1 1.0 C3C B:HEM750 4.3 23.8 1.0 C2B B:HEM750 4.3 25.0 1.0 C2C B:HEM750 4.3 22.4 1.0 C2D B:HEM750 4.3 23.9 1.0 C2A B:HEM750 4.3 22.4 1.0 C3D B:HEM750 4.3 26.5 1.0 C3A B:HEM750 4.4 21.8 1.0 NE1 B:TRP409 4.4 21.2 1.0 CZ B:ARG771 4.5 27.0 1.0 N B:GLY417 4.8 23.9 1.0 NH2 B:ARG771 4.8 26.1 1.0 C B:CYS415 4.9 23.6 1.0 N B:VAL416 4.9 22.4 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