Atomistry » Zinc » PDB 3nil-3nnz » 3nln
Atomistry »
  Zinc »
    PDB 3nil-3nnz »
      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: Wed Aug 20 12:21:37 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy