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Zinc in PDB 4imx: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 3,5-Bis(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl) Benzonitrile

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 3,5-Bis(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl) Benzonitrile, PDB code: 4imx was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.26 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.057, 106.604, 156.464, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 22.2

Other elements in 4imx:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 3,5-Bis(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl) Benzonitrile also contains other interesting chemical elements:

Arsenic (As) 2 atoms
Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 3,5-Bis(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl) Benzonitrile (pdb code 4imx). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 3,5-Bis(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl) Benzonitrile, PDB code: 4imx:

Zinc binding site 1 out of 1 in 4imx

Go back to Zinc Binding Sites List in 4imx
Zinc binding site 1 out of 1 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 3,5-Bis(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl) Benzonitrile


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 3,5-Bis(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl) Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn508

b:35.9
occ:1.00
SG B:CYS96 2.3 36.2 1.0
SG A:CYS96 2.3 35.4 1.0
SG B:CYS101 2.3 37.4 1.0
SG A:CYS101 2.3 34.9 1.0
CB B:CYS101 3.2 38.5 1.0
CB A:CYS101 3.2 36.3 1.0
CB A:CYS96 3.4 40.0 1.0
CB B:CYS96 3.4 37.1 1.0
CA B:CYS101 3.6 39.8 1.0
CA A:CYS101 3.7 37.5 1.0
N B:GLY103 4.0 38.9 1.0
N A:LEU102 4.0 37.4 1.0
N A:GLY103 4.1 37.9 1.0
N B:LEU102 4.1 40.1 1.0
CA B:GLY103 4.3 36.9 1.0
C B:CYS101 4.3 39.6 1.0
C A:CYS101 4.3 37.1 1.0
CA A:GLY103 4.5 36.3 1.0
CA B:CYS96 4.8 38.8 1.0
CA A:CYS96 4.8 41.2 1.0
N B:CYS101 4.9 40.3 1.0
C A:LEU102 5.0 37.7 1.0
N A:CYS101 5.0 38.5 1.0
C B:LEU102 5.0 39.2 1.0

Reference:

H.Huang, H.Li, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Structure-Guided Design of Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. V. 56 3024 2013.
ISSN: ISSN 0022-2623
PubMed: 23451760
DOI: 10.1021/JM4000984
Page generated: Wed Dec 16 05:24:22 2020

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