Iron in PDB 1mmw: Rat Neuronal Nos Heme Domain with Vinyl-L-Nio Bound

All present enzymatic activity of Rat Neuronal Nos Heme Domain with Vinyl-L-Nio Bound:
1.14.13.39;

The structure of Rat Neuronal Nos Heme Domain with Vinyl-L-Nio Bound, PDB code: 1mmw was solved by L.E.Bretscher, H.Li, T.L.Poulos, O.W.Griffith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.25 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.690, 109.980, 164.540, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 26.6

The structure of Rat Neuronal Nos Heme Domain with Vinyl-L-Nio 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 Vinyl-L-Nio Bound (pdb code 1mmw). 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 Vinyl-L-Nio Bound, PDB code: 1mmw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Rat Neuronal Nos Heme Domain with Vinyl-L-Nio 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 Vinyl-L-Nio Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1750 b:27.2 occ:1.00 FE A:HEM1750 0.0 27.2 1.0 NC A:HEM1750 2.0 26.2 1.0 ND A:HEM1750 2.0 27.4 1.0 NA A:HEM1750 2.0 27.9 1.0 NB A:HEM1750 2.0 27.5 1.0 SG A:CYS415 2.2 29.1 1.0 C4C A:HEM1750 3.0 26.3 1.0 C1C A:HEM1750 3.0 26.5 1.0 C1D A:HEM1750 3.0 27.0 1.0 C4D A:HEM1750 3.1 26.9 1.0 C1A A:HEM1750 3.1 27.3 1.0 C4B A:HEM1750 3.1 27.1 1.0 C4A A:HEM1750 3.1 27.2 1.0 C1B A:HEM1750 3.1 27.7 1.0 CB A:CYS415 3.3 29.1 1.0 CHD A:HEM1750 3.4 27.2 1.0 CHC A:HEM1750 3.4 27.2 1.0 CHA A:HEM1750 3.4 26.9 1.0 CHB A:HEM1750 3.5 27.8 1.0 C1 A:VIO1780 4.0 31.2 1.0 CA A:CYS415 4.0 29.0 1.0 C3D A:HEM1750 4.3 27.1 1.0 C2D A:HEM1750 4.3 27.2 1.0 C2C A:HEM1750 4.3 26.8 1.0 C3C A:HEM1750 4.3 26.8 1.0 C2A A:HEM1750 4.3 27.0 1.0 C3A A:HEM1750 4.3 27.3 1.0 C2B A:HEM1750 4.3 27.7 1.0 C3B A:HEM1750 4.4 27.9 1.0 NE1 A:TRP409 4.4 28.3 1.0 CH1 A:VIO1780 4.6 30.2 1.0 CZ A:VIO1780 4.7 30.1 1.0 C A:CYS415 4.8 28.9 1.0 N A:VAL416 4.9 28.4 1.0 N A:GLY417 5.0 28.4 1.0

Iron binding site 2 out of 2 in the Rat Neuronal Nos Heme Domain with Vinyl-L-Nio 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 Vinyl-L-Nio Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2750 b:25.2 occ:1.00 FE B:HEM2750 0.0 25.2 1.0 NC B:HEM2750 2.0 24.9 1.0 NB B:HEM2750 2.0 25.6 1.0 NA B:HEM2750 2.0 26.3 1.0 ND B:HEM2750 2.0 25.7 1.0 SG B:CYS415 2.3 26.3 1.0 C1C B:HEM2750 3.0 25.3 1.0 C4C B:HEM2750 3.1 25.1 1.0 C1A B:HEM2750 3.1 26.0 1.0 C1D B:HEM2750 3.1 25.9 1.0 C4B B:HEM2750 3.1 26.2 1.0 C1B B:HEM2750 3.1 26.0 1.0 C4D B:HEM2750 3.1 25.6 1.0 C4A B:HEM2750 3.1 25.7 1.0 CB B:CYS415 3.3 25.5 1.0 CHC B:HEM2750 3.4 25.7 1.0 CHD B:HEM2750 3.4 25.9 1.0 CHA B:HEM2750 3.4 25.9 1.0 CHB B:HEM2750 3.5 25.9 1.0 C1 B:VIO2780 3.9 29.1 1.0 CA B:CYS415 4.1 26.1 1.0 C2C B:HEM2750 4.3 25.1 1.0 C2A B:HEM2750 4.3 26.1 1.0 C3C B:HEM2750 4.3 25.6 1.0 C2D B:HEM2750 4.3 25.3 1.0 C3A B:HEM2750 4.3 25.9 1.0 C2B B:HEM2750 4.3 26.2 1.0 C3D B:HEM2750 4.3 25.8 1.0 C3B B:HEM2750 4.3 26.9 1.0 NE1 B:TRP409 4.4 24.5 1.0 CH1 B:VIO2780 4.7 28.3 1.0 CZ B:VIO2780 4.7 28.1 1.0 C B:CYS415 4.8 26.3 1.0 N B:GLY417 4.8 26.0 1.0 C2 B:VIO2780 4.8 29.8 1.0 NH2 B:VIO2780 4.9 27.5 1.0 N B:VAL416 4.9 26.0 1.0

L.E.Bretscher, H.Li, T.L.Poulos, O.W.Griffith. Structural Characterization and Kinetics of Nitric-Oxide Synthase Inhibition By Novel N5-(Iminoalkyl)- and N5-(Iminoalkenyl)-Ornithines J.Biol.Chem. V. 278 46789 2003.
ISSN: ISSN 0021-9258
PubMed: 12960153
DOI: 10.1074/JBC.M306787200