Atomistry » Iron » PDB 4d37-4di0 » 4d3m
Atomistry »
  Iron »
    PDB 4d37-4di0 »
      4d3m »

Iron 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:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron 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:

Iron binding site 1 out of 1 in 4d3m

Go back to Iron Binding Sites List in 4d3m
Iron 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 Iron with other atoms in the Fe 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:Fe901

b:14.8
occ:1.00
 FE A:HEM901 0.0 14.8 1.0
ND A:HEM901 1.9 13.7 1.0
NA A:HEM901 2.0 12.3 1.0
NC A:HEM901 2.1 14.6 1.0
NB A:HEM901 2.1 16.6 1.0
SG A:CYS66 2.5 14.9 1.0
C1D A:HEM901 2.9 14.3 1.0
C4D A:HEM901 3.0 15.9 1.0
C1A A:HEM901 3.0 16.1 1.0
C4C A:HEM901 3.1 18.4 1.0
C4A A:HEM901 3.1 15.1 1.0
C1B A:HEM901 3.1 14.4 1.0
C4B A:HEM901 3.1 13.2 1.0
C1C A:HEM901 3.1 14.0 1.0
CHD A:HEM901 3.4 16.4 1.0
CB A:CYS66 3.4 13.3 1.0
CHA A:HEM901 3.5 14.7 1.0
CHB A:HEM901 3.5 12.6 1.0
CHC A:HEM901 3.5 13.4 1.0
C24 A:IVU904 3.8 16.8 1.0
C23 A:IVU904 3.9 14.8 1.0
C25 A:IVU904 4.1 17.9 1.0
C29 A:IVU904 4.1 18.7 1.0
CA A:CYS66 4.2 15.1 1.0
C2D A:HEM901 4.2 14.1 1.0
C3D A:HEM901 4.2 14.8 1.0
C3A A:HEM901 4.3 15.8 1.0
C2A A:HEM901 4.3 16.1 1.0
C22 A:IVU904 4.3 14.3 1.0
C3C A:HEM901 4.3 17.0 1.0
C2C A:HEM901 4.3 14.6 1.0
C2B A:HEM901 4.3 14.9 1.0
C3B A:HEM901 4.4 14.3 1.0
C20 A:IVU904 4.4 19.7 1.0
NE1 A:TRP60 4.5 17.8 1.0
N21 A:IVU904 4.5 16.0 1.0
C A:CYS66 4.9 19.6 1.0
N A:GLY68 5.0 15.8 1.0
N28 A:IVU904 5.0 14.6 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: Mon Aug 5 01:07:48 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy