Atomistry » Zinc » PDB 3nik-3nny » 3nln
Atomistry »
  Zinc »
    PDB 3nik-3nny »
      3nln »

Zinc in PDB 3nln: Structure of Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin-2-Amine

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin-2-Amine, PDB code: 3nln was solved by H.Li, S.L.Delker, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.20 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.950, 112.190, 164.800, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.5

Other elements in 3nln:

The structure of Structure of Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin-2-Amine also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin-2-Amine (pdb code 3nln). 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 Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin-2-Amine, PDB code: 3nln:

Zinc binding site 1 out of 1 in 3nln

Go back to Zinc Binding Sites List in 3nln
Zinc binding site 1 out of 1 in the Structure of Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-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 Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain in Complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-Fluorophenethylamino) Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:39.6
occ:1.00
 SG A:CYS326 2.3 47.9 1.0
SG A:CYS331 2.3 41.1 1.0
SG B:CYS326 2.4 43.8 1.0
SG B:CYS331 2.4 41.0 1.0
CB A:CYS331 3.3 43.8 1.0
CB B:CYS331 3.3 43.8 1.0
CB A:CYS326 3.4 53.2 1.0
CB B:CYS326 3.5 50.0 1.0
CA A:CYS331 3.6 46.7 1.0
CA B:CYS331 3.7 44.8 1.0
N A:MET332 4.0 46.2 1.0
N B:MET332 4.1 42.9 1.0
N A:GLY333 4.1 42.9 1.0
N B:GLY333 4.2 40.7 1.0
C A:CYS331 4.2 46.5 1.0
C B:CYS331 4.3 43.5 1.0
CA A:GLY333 4.5 39.5 1.0
CA B:GLY333 4.6 38.8 1.0
CA A:CYS326 4.7 55.5 1.0
CA B:CYS326 4.9 51.1 1.0
N A:CYS331 4.9 49.1 1.0
N B:CYS331 4.9 46.9 1.0
O A:ILE330 5.0 51.7 1.0
C A:MET332 5.0 44.0 1.0

Reference:

H.Ji, S.L.Delker, H.Li, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Exploration of the Active Site of Neuronal Nitric Oxide Synthase By the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives. J.Med.Chem. V. 53 7804 2010.
ISSN: ISSN 0022-2623
PubMed: 20958055
DOI: 10.1021/JM100947X
Page generated: Sat Oct 26 10:27:49 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy