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Zinc in PDB 4jsk: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine)

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine)

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine):
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine), PDB code: 4jsk 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) 42.90 / 2.28
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.432, 106.572, 156.972, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 25.8

Other elements in 4jsk:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine) 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 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine) (pdb code 4jsk). 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 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine), PDB code: 4jsk:

Zinc binding site 1 out of 1 in 4jsk

Go back to Zinc Binding Sites List in 4jsk
Zinc binding site 1 out of 1 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine)


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 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn507

b:48.8
occ:1.00
 SG A:CYS96 2.3 47.2 1.0
SG B:CYS96 2.3 46.3 1.0
SG A:CYS101 2.4 42.7 1.0
SG B:CYS101 2.4 45.7 1.0
CB B:CYS101 3.3 47.7 1.0
CB A:CYS101 3.4 44.7 1.0
CB A:CYS96 3.4 47.1 1.0
CB B:CYS96 3.4 46.6 1.0
CA B:CYS101 3.7 48.4 1.0
CA A:CYS101 3.7 45.3 1.0
N A:LEU102 4.0 45.1 1.0
N B:LEU102 4.0 47.9 1.0
N B:GLY103 4.2 46.2 1.0
N A:GLY103 4.2 43.6 1.0
C A:CYS101 4.3 44.8 1.0
C B:CYS101 4.3 47.4 1.0
CA B:GLY103 4.5 44.2 1.0
CA A:GLY103 4.6 42.9 1.0
CA A:CYS96 4.7 49.4 1.0
CA B:CYS96 4.8 48.5 1.0
N B:CYS101 5.0 49.4 1.0
N A:CYS101 5.0 48.0 1.0

Reference:

Q.Jing, H.Li, J.Fang, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. In Search of Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase with More Simple Structures. Bioorg.Med.Chem. V. 21 5323 2013.
ISSN: ISSN 0968-0896
PubMed: 23867386
DOI: 10.1016/J.BMC.2013.06.014
Page generated: Sun Oct 27 01:28:56 2024

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