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Zinc in PDB 4cwv: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-2-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-2-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-2-Amine, PDB code: 4cwv 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) 39.36 / 2.34
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.292, 106.731, 156.938, 90.00, 90.00, 90.00
R / Rfree (%) 17.716 / 22.429

Other elements in 4cwv:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-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 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-2-Amine (pdb code 4cwv). 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 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-2-Amine, PDB code: 4cwv:

Zinc binding site 1 out of 1 in 4cwv

Go back to Zinc Binding Sites List in 4cwv
Zinc binding site 1 out of 1 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-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 4-Methyl-6-(((3R,4R)-4-((5-(Pyridin- 2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:44.1
occ:1.00
 SG A:CYS96 2.3 45.6 1.0
SG B:CYS96 2.4 44.2 1.0
SG A:CYS101 2.4 43.4 1.0
SG B:CYS101 2.5 45.6 1.0
CB B:CYS101 3.1 48.1 1.0
CB A:CYS101 3.3 45.0 1.0
CB B:CYS96 3.3 45.8 1.0
CB A:CYS96 3.4 49.7 1.0
CA B:CYS101 3.6 50.0 1.0
CA A:CYS101 3.8 47.3 1.0
N B:LEU102 4.0 50.5 1.0
N B:GLY103 4.1 49.0 1.0
N A:GLY103 4.1 46.4 1.0
N A:LEU102 4.1 46.5 1.0
C B:CYS101 4.2 50.2 1.0
CA B:GLY103 4.3 48.3 1.0
C A:CYS101 4.4 47.2 1.0
CA A:GLY103 4.4 45.3 1.0
CA B:CYS96 4.7 47.4 1.0
CA A:CYS96 4.8 51.3 1.0
N B:CYS101 4.9 50.9 1.0
C B:LEU102 5.0 49.1 1.0
C A:LEU102 5.0 46.2 1.0

Reference:

H.Li, J.Jamal, S.L.Delker, C.Plaza, H.Ji, Q.Jing, H.Huang, S.Kang, R.B.Silverman, T.L.Poulos. Mobility of A Conserved Tyrosine Residue Controls Isoform- Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry V. 53 5272 2014.
ISSN: ISSN 0006-2960
PubMed: 25089924
DOI: 10.1021/BI500561H
Page generated: Sat Oct 26 21:08:10 2024

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