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Zinc in PDB 5adb: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine

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

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine, PDB code: 5adb 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) 39.081 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.650, 111.010, 165.110, 90.00, 90.00, 90.00
R / Rfree (%) 19.28 / 25.49

Other elements in 5adb:

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

Iron (Fe) 2 atoms
Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine (pdb code 5adb). 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 Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine, PDB code: 5adb:

Zinc binding site 1 out of 1 in 5adb

Go back to Zinc Binding Sites List in 5adb
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-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 Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((4-Chloro-3-((Methylamino)Methyl) Phenoxy)Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1717

b:47.5
occ:1.00
 SG A:CYS326 2.2 58.2 1.0
SG A:CYS331 2.3 41.2 1.0
SG B:CYS331 2.4 49.1 1.0
SG B:CYS326 2.5 52.8 1.0
CB A:CYS331 3.2 42.1 1.0
CB B:CYS331 3.2 49.2 1.0
CB A:CYS326 3.4 53.9 1.0
CA A:CYS331 3.5 50.2 1.0
CB B:CYS326 3.6 45.8 1.0
CA B:CYS331 3.6 48.2 1.0
N A:MET332 3.9 49.2 1.0
N B:MET332 4.0 42.9 1.0
C A:CYS331 4.1 45.9 1.0
N A:GLY333 4.1 43.0 1.0
N B:GLY333 4.1 50.9 1.0
C B:CYS331 4.2 42.7 1.0
CA B:GLY333 4.6 53.0 1.0
CA A:GLY333 4.6 35.9 1.0
CA A:CYS326 4.7 58.0 1.0
N A:CYS331 4.8 50.0 1.0
N B:CYS331 4.9 51.8 1.0
CA B:CYS326 4.9 51.2 1.0
C A:MET332 5.0 43.7 1.0
CA A:MET332 5.0 43.7 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 12:52:22 2024

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