Atomistry » Iron » PDB 4bmq-4ccp » 4cam
Atomistry »
  Iron »
    PDB 4bmq-4ccp »
      4cam »

Iron in PDB 4cam: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)Methyl)Quinolin-2-Amine

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

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)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-Fluorophenethylamino)Methyl)Quinolin-2-Amine, PDB code: 4cam 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) 39.11 / 1.83
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.928, 111.126, 164.904, 90.00, 90.00, 90.00
R / Rfree (%) 19.42 / 22.958

Other elements in 4cam:

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

Fluorine (F) 2 atoms
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-Fluorophenethylamino)Methyl)Quinolin-2-Amine (pdb code 4cam). 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-Fluorophenethylamino)Methyl)Quinolin-2-Amine, PDB code: 4cam:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4cam

Go back to Iron Binding Sites List in 4cam
Iron binding site 1 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)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-Fluorophenethylamino)Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe750

b:28.1
occ:1.00
 FE A:HEM750 0.0 28.1 1.0
ND A:HEM750 1.9 28.5 1.0
NA A:HEM750 2.0 32.2 1.0
NC A:HEM750 2.1 28.1 1.0
NB A:HEM750 2.1 29.3 1.0
SG A:CYS415 2.5 27.0 1.0
C4D A:HEM750 2.9 30.9 1.0
C1D A:HEM750 3.0 28.7 1.0
C1A A:HEM750 3.0 29.4 1.0
C04 A:M87800 3.0 29.5 1.0
C4A A:HEM750 3.0 30.7 1.0
C4B A:HEM750 3.1 31.3 1.0
C1B A:HEM750 3.1 30.4 1.0
C4C A:HEM750 3.1 28.4 1.0
C1C A:HEM750 3.1 28.7 1.0
C03 A:M87800 3.4 30.7 1.0
CHA A:HEM750 3.4 29.9 1.0
CHB A:HEM750 3.4 29.8 1.0
CB A:CYS415 3.4 26.9 1.0
CHC A:HEM750 3.5 30.7 1.0
CHD A:HEM750 3.5 28.4 1.0
C05 A:M87800 3.8 30.5 1.0
CA A:CYS415 4.2 24.6 1.0
C2A A:HEM750 4.2 31.9 1.0
C3A A:HEM750 4.2 30.9 1.0
C2D A:HEM750 4.2 30.1 1.0
C3D A:HEM750 4.2 31.0 1.0
C3C A:HEM750 4.3 29.4 1.0
C2B A:HEM750 4.3 30.4 1.0
C2C A:HEM750 4.3 28.6 1.0
C06 A:M87800 4.3 31.4 1.0
C3B A:HEM750 4.3 30.9 1.0
C02 A:M87800 4.4 32.5 1.0
NE1 A:TRP409 4.5 30.2 1.0
C10 A:M87800 4.8 33.0 1.0
C A:CYS415 4.9 26.3 1.0
N A:GLY417 4.9 27.7 1.0
N01 A:M87800 5.0 34.0 1.0

Iron binding site 2 out of 2 in 4cam

Go back to Iron Binding Sites List in 4cam
Iron binding site 2 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)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-Fluorophenethylamino)Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe750

b:27.0
occ:1.00
 FE B:HEM750 0.0 27.0 1.0
ND B:HEM750 1.9 26.9 1.0
NA B:HEM750 2.0 30.3 1.0
NB B:HEM750 2.1 26.9 1.0
NC B:HEM750 2.1 25.0 1.0
SG B:CYS415 2.5 25.0 1.0
C4D B:HEM750 2.9 26.8 1.0
C1A B:HEM750 3.0 27.1 1.0
C1D B:HEM750 3.0 26.5 1.0
C04 B:M87800 3.0 30.1 1.0
C4B B:HEM750 3.0 26.5 1.0
C4A B:HEM750 3.0 27.5 1.0
C1C B:HEM750 3.1 23.7 1.0
C4C B:HEM750 3.1 23.6 1.0
C1B B:HEM750 3.1 27.6 1.0
C03 B:M87800 3.3 29.5 1.0
CHA B:HEM750 3.4 26.1 1.0
CHC B:HEM750 3.4 24.5 1.0
CHD B:HEM750 3.5 25.1 1.0
CB B:CYS415 3.5 23.6 1.0
CHB B:HEM750 3.5 27.2 1.0
C05 B:M87800 3.9 32.2 1.0
C2A B:HEM750 4.2 29.8 1.0
C3A B:HEM750 4.2 29.4 1.0
C3D B:HEM750 4.2 27.2 1.0
C2D B:HEM750 4.2 26.0 1.0
C2C B:HEM750 4.3 23.2 1.0
CA B:CYS415 4.3 24.3 1.0
C3C B:HEM750 4.3 23.8 1.0
C3B B:HEM750 4.3 28.7 1.0
C2B B:HEM750 4.3 28.3 1.0
C02 B:M87800 4.3 30.4 1.0
C06 B:M87800 4.4 31.8 1.0
NE1 B:TRP409 4.4 24.8 1.0
C10 B:M87800 4.8 33.1 1.0
N B:GLY417 4.8 27.5 1.0
N01 B:M87800 4.9 31.5 1.0
C B:CYS415 5.0 26.1 1.0

Reference:

M.A.Cinelli, H.Li, G.Chreifi, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Simplified 2-Aminoquinoline-Based Scaffold For Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem. V. 57 1513 2014.
ISSN: ISSN 0022-2623
PubMed: 24472039
DOI: 10.1021/JM401838X
Page generated: Tue Aug 5 09:26:01 2025

Last articles

Ni in 4M4M
Ni in 4LXL
Ni in 4LTO
Ni in 4LRL
Ni in 4LM4
Ni in 4LM3
Ni in 4LS3
Ni in 4LPS
Ni in 4LOW
Ni in 4LM2
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy