Atomistry » Iron » PDB 7rl2-7sf6 » 7s3x
Atomistry »
  Iron »
    PDB 7rl2-7sf6 »
      7s3x »

Iron in PDB 7s3x: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(((Pyridin-2-Ylmethyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine

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

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(((Pyridin-2-Ylmethyl)Amino)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-((3-(((Pyridin-2-Ylmethyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine, PDB code: 7s3x 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) 49.37 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.78, 111.36, 163.8, 90, 90, 90
R / Rfree (%) 19.8 / 24.4

Other elements in 7s3x:

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

Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(((Pyridin-2-Ylmethyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine (pdb code 7s3x). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(((Pyridin-2-Ylmethyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine, PDB code: 7s3x:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7s3x

Go back to Iron Binding Sites List in 7s3x
Iron binding site 1 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(((Pyridin-2-Ylmethyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(((Pyridin-2-Ylmethyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:33.2
occ:1.00
 FE A:HEM801 0.0 33.2 1.0
ND A:HEM801 2.0 30.0 1.0
NC A:HEM801 2.1 26.4 1.0
NB A:HEM801 2.1 38.4 1.0
NA A:HEM801 2.2 33.2 1.0
SG A:CYS415 2.4 33.4 1.0
C1D A:HEM801 3.0 34.9 1.0
C4D A:HEM801 3.0 41.5 1.0
C4C A:HEM801 3.1 25.7 1.0
C1C A:HEM801 3.1 25.4 1.0
C4B A:HEM801 3.1 38.4 1.0
C1B A:HEM801 3.1 35.3 1.0
C1A A:HEM801 3.2 31.6 1.0
C4A A:HEM801 3.2 30.0 1.0
CB A:CYS415 3.3 34.9 1.0
CHC A:HEM801 3.4 34.9 1.0
C04 A:88H803 3.4 32.1 1.0
CHD A:HEM801 3.4 30.2 1.0
CHA A:HEM801 3.5 35.2 1.0
CHB A:HEM801 3.5 32.6 1.0
C05 A:88H803 3.7 34.1 1.0
C03 A:88H803 3.9 35.6 1.0
C06 A:88H803 4.0 35.5 1.0
CA A:CYS415 4.0 30.8 1.0
C3D A:HEM801 4.2 39.5 1.0
C2D A:HEM801 4.2 35.9 1.0
C3C A:HEM801 4.3 37.8 1.0
C3B A:HEM801 4.3 34.4 1.0
C2C A:HEM801 4.3 36.8 1.0
C2B A:HEM801 4.3 31.9 1.0
NE1 A:TRP409 4.3 34.1 1.0
C2A A:HEM801 4.4 48.1 1.0
C10 A:88H803 4.4 41.7 1.0
C3A A:HEM801 4.4 40.3 1.0
C02 A:88H803 4.6 39.4 1.0
N A:GLY417 4.7 35.8 1.0
C A:CYS415 4.8 31.5 1.0
N01 A:88H803 4.8 37.8 1.0
C07 A:88H803 4.9 37.3 1.0
N A:VAL416 4.9 39.5 1.0
CD1 A:TRP409 5.0 34.4 1.0

Iron binding site 2 out of 2 in 7s3x

Go back to Iron Binding Sites List in 7s3x
Iron binding site 2 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(((Pyridin-2-Ylmethyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(((Pyridin-2-Ylmethyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe801

b:28.8
occ:1.00
 FE B:HEM801 0.0 28.8 1.0
ND B:HEM801 2.0 23.1 1.0
NB B:HEM801 2.0 22.5 1.0
NC B:HEM801 2.1 30.0 1.0
NA B:HEM801 2.1 29.5 1.0
SG B:CYS415 2.3 34.1 1.0
C1D B:HEM801 3.0 32.7 1.0
C4C B:HEM801 3.0 24.5 1.0
C4B B:HEM801 3.1 37.9 1.0
C4D B:HEM801 3.1 30.3 1.0
C1C B:HEM801 3.1 28.5 1.0
C1B B:HEM801 3.1 34.7 1.0
C1A B:HEM801 3.1 36.0 1.0
C4A B:HEM801 3.1 20.0 1.0
CHD B:HEM801 3.4 37.8 1.0
CB B:CYS415 3.4 34.1 1.0
CHC B:HEM801 3.4 32.2 1.0
C04 B:88H803 3.4 36.0 1.0
CHA B:HEM801 3.5 33.3 1.0
CHB B:HEM801 3.5 29.8 1.0
C05 B:88H803 3.6 34.5 1.0
C06 B:88H803 3.8 37.0 1.0
C03 B:88H803 4.0 36.0 1.0
CA B:CYS415 4.1 27.9 1.0
C2D B:HEM801 4.2 25.4 1.0
C3D B:HEM801 4.3 31.4 1.0
C3B B:HEM801 4.3 35.2 1.0
C3C B:HEM801 4.3 29.9 1.0
C2B B:HEM801 4.3 34.5 1.0
C10 B:88H803 4.3 36.1 1.0
C2C B:HEM801 4.3 32.2 1.0
C2A B:HEM801 4.3 43.2 1.0
C3A B:HEM801 4.3 37.2 1.0
NE1 B:TRP409 4.3 26.2 1.0
C07 B:88H803 4.6 40.0 1.0
N B:GLY417 4.7 41.6 1.0
C02 B:88H803 4.7 33.9 1.0
N01 B:88H803 4.8 28.0 1.0
C B:CYS415 4.8 28.6 1.0
N B:VAL416 4.9 29.6 1.0
CD1 B:TRP409 5.0 31.0 1.0

Reference:

M.C.Lewis, P.M.Weerawarna, H.Li, V.Murarka, R.B.Silverman, T.L.Poulos. Selective Anti-Mrsa Inhibitors Targetting Bacterial Nitric Oxide Synthase To Be Published.
Page generated: Thu Aug 7 05:24:28 2025

Last articles

Mg in 9DQI
Mg in 9DPB
Mg in 9DP4
Mg in 9DOU
Mg in 9DOC
Mg in 9DO4
Mg in 9DNB
Mg in 9DLS
Mg in 9DN7
Mg in 9DN5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy