Iron in PDB 1lzx: Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound

All present enzymatic activity of Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound:
1.14.13.39;

The structure of Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound, PDB code: 1lzx was solved by H.Li, H.Shimizu, M.Flinspach, J.Jamal, W.Yang, M.Xian, T.Cai, E.Z.Wen, Q.Jia, P.G.Wang, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.58 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.930, 110.740, 164.730, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 25.6

The structure of Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound (pdb code 1lzx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound, PDB code: 1lzx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:27.9 occ:1.00 FE A:HEM750 0.0 27.9 1.0 NC A:HEM750 2.0 28.9 1.0 NA A:HEM750 2.0 29.7 1.0 ND A:HEM750 2.0 29.3 1.0 NB A:HEM750 2.0 29.4 1.0 SG A:CYS415 2.2 30.4 1.0 C4C A:HEM750 3.0 28.8 1.0 C4A A:HEM750 3.0 28.8 1.0 C1C A:HEM750 3.0 29.3 1.0 C1D A:HEM750 3.1 28.9 1.0 C1A A:HEM750 3.1 29.1 1.0 C4D A:HEM750 3.1 28.9 1.0 C1B A:HEM750 3.1 29.2 1.0 C4B A:HEM750 3.1 29.3 1.0 CB A:CYS415 3.4 28.9 1.0 CHD A:HEM750 3.4 29.0 1.0 CHB A:HEM750 3.4 29.0 1.0 CHA A:HEM750 3.4 28.6 1.0 CHC A:HEM750 3.5 29.4 1.0 NH1 A:HAR770 4.1 22.5 0.8 CA A:CYS415 4.1 28.8 1.0 C3C A:HEM750 4.3 29.5 1.0 C2A A:HEM750 4.3 28.9 1.0 C3A A:HEM750 4.3 29.2 1.0 C2C A:HEM750 4.3 29.7 1.0 C3D A:HEM750 4.3 29.0 1.0 C2D A:HEM750 4.3 28.9 1.0 C2B A:HEM750 4.3 29.3 1.0 C3B A:HEM750 4.3 29.5 1.0 OH1 A:HAR770 4.4 21.5 0.7 NE1 A:TRP409 4.5 27.6 1.0 CZ A:HAR770 4.5 23.3 0.9 NH2 A:HAR770 4.8 21.5 0.7 C A:CYS415 4.9 28.5 1.0 N A:VAL416 5.0 28.2 1.0

Iron binding site 2 out of 2 in the Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rat Neuronal Nos Heme Domain with Ng-Hydroxy-L-Arginine Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:25.7 occ:1.00 FE B:HEM750 0.0 25.7 1.0 NB B:HEM750 2.0 26.2 1.0 NC B:HEM750 2.0 25.8 1.0 ND B:HEM750 2.0 26.0 1.0 NA B:HEM750 2.0 26.8 1.0 SG B:CYS415 2.3 26.6 1.0 C4B B:HEM750 3.0 26.9 1.0 C1B B:HEM750 3.0 26.4 1.0 C1D B:HEM750 3.1 26.2 1.0 C4C B:HEM750 3.1 26.2 1.0 C4D B:HEM750 3.1 26.3 1.0 C1C B:HEM750 3.1 26.4 1.0 C1A B:HEM750 3.1 26.3 1.0 C4A B:HEM750 3.1 26.1 1.0 CB B:CYS415 3.3 26.1 1.0 CHD B:HEM750 3.4 26.1 1.0 CHC B:HEM750 3.4 26.5 1.0 CHA B:HEM750 3.4 26.3 1.0 CHB B:HEM750 3.5 26.6 1.0 NH1 B:HAR1770 4.1 28.5 1.0 CA B:CYS415 4.1 26.5 1.0 C2B B:HEM750 4.3 27.0 1.0 C3B B:HEM750 4.3 27.4 1.0 C2C B:HEM750 4.3 26.0 1.0 C2D B:HEM750 4.3 26.2 1.0 C3C B:HEM750 4.3 26.5 1.0 C3A B:HEM750 4.3 25.9 1.0 C3D B:HEM750 4.3 26.6 1.0 C2A B:HEM750 4.3 25.8 1.0 NE1 B:TRP409 4.4 26.0 1.0 CZ B:HAR1770 4.5 28.6 1.0 OH1 B:HAR1770 4.6 28.9 1.0 NH2 B:HAR1770 4.8 27.9 1.0 N B:GLY417 4.9 28.3 1.0 C B:CYS415 4.9 27.3 1.0 N B:VAL416 5.0 27.3 1.0

H.Li, H.Shimizu, M.Flinspach, J.Jamal, W.Yang, M.Xian, T.Cai, E.Z.Wen, Q.Jia, P.G.Wang, T.L.Poulos. The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide Synthase Provides Mechanistic Insights Into No Biosynthesis Biochemistry V. 41 13868 2002.
ISSN: ISSN 0006-2960
PubMed: 12437343
DOI: 10.1021/BI020417C