Iron in PDB 2g6j: Structure of Rat Nnos (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No

All present enzymatic activity of Structure of Rat Nnos (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No:
1.14.13.39;

The structure of Structure of Rat Nnos (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No, PDB code: 2g6j 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)	49.22 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.520, 110.490, 164.910, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 26.9

The structure of Structure of Rat Nnos (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Structure of Rat Nnos (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No (pdb code 2g6j). 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 (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No, PDB code: 2g6j:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Rat Nnos (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No


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 (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:36.9 occ:1.00 FE A:HEM750 0.0 36.9 1.0 N A:NO910 1.8 38.6 1.0 NC A:HEM750 2.0 30.6 1.0 NA A:HEM750 2.0 34.1 1.0 ND A:HEM750 2.0 34.5 1.0 NB A:HEM750 2.0 32.4 1.0 SG A:CYS415 2.4 36.3 1.0 O A:NO910 2.8 39.0 1.0 C4C A:HEM750 3.0 32.1 1.0 C1C A:HEM750 3.0 31.5 1.0 C4D A:HEM750 3.0 35.2 1.0 C1A A:HEM750 3.1 35.0 1.0 C4A A:HEM750 3.1 34.2 1.0 C1B A:HEM750 3.1 32.2 1.0 C1D A:HEM750 3.1 34.1 1.0 C4B A:HEM750 3.1 31.5 1.0 CHD A:HEM750 3.4 34.7 1.0 CB A:CYS415 3.4 36.6 1.0 CHB A:HEM750 3.4 31.6 1.0 CHA A:HEM750 3.4 34.9 1.0 CHC A:HEM750 3.4 32.4 1.0 CA A:CYS415 4.1 36.0 1.0 C3C A:HEM750 4.2 31.9 1.0 C2C A:HEM750 4.2 32.3 1.0 C2A A:HEM750 4.3 35.0 1.0 C3D A:HEM750 4.3 35.9 1.0 NH1 A:ARG770 4.3 43.2 1.0 C3A A:HEM750 4.3 34.1 1.0 C2D A:HEM750 4.3 34.0 1.0 C2B A:HEM750 4.3 34.2 1.0 C3B A:HEM750 4.3 33.4 1.0 NE1 A:TRP409 4.6 27.5 1.0 CZ A:ARG770 4.7 45.1 1.0 C A:CYS415 5.0 35.3 1.0

Iron binding site 2 out of 2 in the Structure of Rat Nnos (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No


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 (L337N) Heme Domain (4-Aminobiopterin Bound) Complexed with No within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:33.7 occ:1.00 FE B:HEM750 0.0 33.7 1.0 N B:NO910 1.8 37.0 1.0 NC B:HEM750 1.9 26.8 1.0 NA B:HEM750 2.0 32.9 1.0 ND B:HEM750 2.0 30.7 1.0 NB B:HEM750 2.0 31.2 1.0 SG B:CYS415 2.4 36.7 1.0 O B:NO910 2.8 35.3 1.0 C4C B:HEM750 3.0 26.8 1.0 C1C B:HEM750 3.0 28.9 1.0 C1D B:HEM750 3.0 30.6 1.0 C1A B:HEM750 3.0 35.4 1.0 C4A B:HEM750 3.0 36.9 1.0 C4B B:HEM750 3.1 31.8 1.0 C1B B:HEM750 3.1 32.9 1.0 C4D B:HEM750 3.1 32.7 1.0 CHD B:HEM750 3.3 30.8 1.0 CHC B:HEM750 3.4 29.7 1.0 CB B:CYS415 3.4 33.3 1.0 CHA B:HEM750 3.4 33.4 1.0 CHB B:HEM750 3.5 34.0 1.0 NH1 B:ARG771 4.1 38.9 1.0 C3C B:HEM750 4.2 25.7 1.0 C2C B:HEM750 4.2 27.7 1.0 CA B:CYS415 4.2 34.0 1.0 C2A B:HEM750 4.2 37.3 1.0 C3A B:HEM750 4.3 36.3 1.0 C2D B:HEM750 4.3 31.9 1.0 C3D B:HEM750 4.3 34.1 1.0 C2B B:HEM750 4.3 31.0 1.0 C3B B:HEM750 4.3 31.9 1.0 NE1 B:TRP409 4.5 22.5 1.0 CZ B:ARG771 4.5 39.4 1.0 NH2 B:ARG771 4.9 37.7 1.0 N B:GLY417 4.9 35.9 1.0 C B:CYS415 5.0 34.5 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