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Zinc in PDB 5fj3: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate, PDB code: 5fj3 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) 62.962 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.670, 106.360, 156.240, 90.00, 90.00, 90.00
R / Rfree (%) 18.04 / 23.02

Other elements in 5fj3:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate also contains other interesting chemical elements:

Arsenic (As) 2 atoms
Iron (Fe) 2 atoms
Chlorine (Cl) 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 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate (pdb code 5fj3). 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 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate, PDB code: 5fj3:

Zinc binding site 1 out of 1 in 5fj3

Go back to Zinc Binding Sites List in 5fj3
Zinc binding site 1 out of 1 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate


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 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine in the Absence of Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:48.9
occ:1.00
 SG A:CYS96 2.4 47.4 1.0
SG A:CYS101 2.4 43.3 1.0
SG B:CYS101 2.4 44.2 1.0
SG B:CYS96 2.5 45.0 1.0
CB B:CYS101 3.1 39.1 1.0
CB A:CYS101 3.2 43.5 1.0
CB A:CYS96 3.4 51.2 1.0
CB B:CYS96 3.4 42.7 1.0
CA B:CYS101 3.6 51.5 1.0
CA A:CYS101 3.7 51.5 1.0
N B:LEU102 4.1 52.3 1.0
N B:GLY103 4.1 54.6 1.0
N A:LEU102 4.2 51.1 1.0
N A:GLY103 4.2 58.1 1.0
C B:CYS101 4.2 52.1 1.0
C A:CYS101 4.3 54.3 1.0
CA B:GLY103 4.4 49.9 1.0
CA A:GLY103 4.5 54.7 1.0
CA A:CYS96 4.8 55.7 1.0
N B:CYS101 4.8 50.9 1.0
CA B:CYS96 4.8 46.2 1.0
N A:CYS101 4.9 51.9 1.0
O A:HOH2127 5.0 49.0 1.0

Reference:

M.A.Cinelli, H.Li, A.V.Pensa, S.Kang, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. Phenyl Ether- and Aniline-Containing 2-Aminoquinolines As Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. V. 58 8694 2015.
ISSN: ISSN 0022-2623
PubMed: 26469213
DOI: 10.1021/ACS.JMEDCHEM.5B01330
Page generated: Sun Oct 27 16:12:37 2024

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