Atomistry » Chlorine » PDB 4d0p-4da0 » 4d3m
Atomistry »
  Chlorine »
    PDB 4d0p-4da0 »
      4d3m »

Chlorine in PDB 4d3m: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile

Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile

All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile:
1.14.13.165;

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile, PDB code: 4d3m was solved by J.K.Holden, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.662 / 1.74
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.380, 95.697, 63.070, 90.00, 90.00, 90.00
R / Rfree (%) 16.68 / 18.78

Other elements in 4d3m:

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile (pdb code 4d3m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile, PDB code: 4d3m:

Chlorine binding site 1 out of 1 in 4d3m

Go back to Chlorine Binding Sites List in 4d3m
Chlorine binding site 1 out of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 3-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)-5-( 2-(4-Methyl-6-(Methylamino)Pyridin-2-Yl)Ethyl)Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:24.4
occ:1.00
 OH A:TYR239 2.9 18.4 1.0
NH1 A:ARG247 3.0 25.8 0.5
NE2 A:GLN129 3.1 21.9 1.0
O A:HOH2097 3.2 22.7 1.0
ND2 A:ASN248 3.3 14.9 1.0
N27 A:IVU904 3.5 22.7 1.0
CE1 A:TYR239 3.5 15.6 1.0
C26 A:IVU904 3.5 29.4 1.0
CZ A:TYR239 3.7 17.6 1.0
C15 A:IVU904 3.7 25.8 1.0
OH A:TYR213 3.8 18.6 1.0
OD1 A:ASN248 3.9 17.2 1.0
OE1 A:GLN129 3.9 20.4 1.0
CD A:GLN129 4.0 20.9 1.0
CG A:ASN248 4.0 15.5 1.0
C16 A:IVU904 4.1 28.6 1.0
CZ A:ARG247 4.2 21.2 0.5
NH2 A:ARG247 4.7 12.9 0.5
CB A:PRO216 4.8 17.3 1.0
NE1 A:TRP212 4.8 13.7 1.0
CZ A:TYR213 4.8 16.9 1.0
CD1 A:TYR239 4.8 15.5 1.0
C14 A:IVU904 4.9 27.8 1.0

Reference:

J.K.Holden, S.Kang, S.A.Hollingsworth, H.Li, N.Lim, S.Chen, H.Huang, F.Xue, W.Tang, R.B.Silverman, T.L.Poulos. Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem. 2014.
ISSN: ESSN 1520-4804
PubMed: 25522110
DOI: 10.1021/JM501723P
Page generated: Fri Jul 11 14:13:09 2025

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