Atomistry » Iron » PDB 4zoh-5ade » 5ad6
Atomistry »
  Iron »
    PDB 4zoh-5ade »
      5ad6 »

Iron in PDB 5ad6: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(Dimethylamino)Methyl)Phenoxy) Methyl)Quinolin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(Dimethylamino)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-(Dimethylamino)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-(Dimethylamino)Methyl)Phenoxy) Methyl)Quinolin-2-Amine, PDB code: 5ad6 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) 39.165 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.760, 111.670, 164.850, 90.00, 90.00, 90.00
R / Rfree (%) 19.23 / 25.11

Other elements in 5ad6:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(Dimethylamino)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-(Dimethylamino)Methyl)Phenoxy) Methyl)Quinolin-2-Amine (pdb code 5ad6). 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-(Dimethylamino)Methyl)Phenoxy) Methyl)Quinolin-2-Amine, PDB code: 5ad6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5ad6

Go back to Iron Binding Sites List in 5ad6
Iron binding site 1 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(Dimethylamino)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-(Dimethylamino)Methyl)Phenoxy) Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe750

b:18.7
occ:1.00
 FE A:HEM750 0.0 18.7 1.0
NC A:HEM750 2.0 18.6 1.0
NB A:HEM750 2.1 26.8 1.0
ND A:HEM750 2.1 14.4 1.0
NA A:HEM750 2.2 24.2 1.0
SG A:CYS415 2.3 21.1 1.0
C4C A:HEM750 3.0 18.1 1.0
C1C A:HEM750 3.0 23.7 1.0
C1D A:HEM750 3.1 19.5 1.0
C1B A:HEM750 3.1 21.5 1.0
C4B A:HEM750 3.1 23.1 1.0
C4A A:HEM750 3.1 12.5 1.0
C4D A:HEM750 3.1 27.0 1.0
C1A A:HEM750 3.2 18.5 1.0
C04 A:7M3800 3.4 22.3 1.0
CB A:CYS415 3.4 16.5 1.0
CHD A:HEM750 3.4 20.7 1.0
CHB A:HEM750 3.4 11.5 1.0
CHC A:HEM750 3.4 15.4 1.0
CHA A:HEM750 3.6 22.5 1.0
C03 A:7M3800 3.8 19.8 1.0
C05 A:7M3800 3.8 28.1 1.0
CA A:CYS415 4.1 15.9 1.0
C06 A:7M3800 4.2 24.0 1.0
C3C A:HEM750 4.2 18.3 1.0
C2C A:HEM750 4.3 27.4 1.0
C2B A:HEM750 4.3 27.7 1.0
C2D A:HEM750 4.3 23.4 1.0
C3B A:HEM750 4.3 31.2 1.0
C3D A:HEM750 4.3 26.0 1.0
C3A A:HEM750 4.4 15.8 1.0
C2A A:HEM750 4.4 23.9 1.0
NE1 A:TRP409 4.4 14.4 1.0
C02 A:7M3800 4.5 28.2 1.0
C10 A:7M3800 4.5 31.2 1.0
N A:GLY417 4.8 24.1 1.0
C A:CYS415 4.8 27.2 1.0
N01 A:7M3800 4.8 30.8 1.0
N A:VAL416 4.9 21.1 1.0

Iron binding site 2 out of 2 in 5ad6

Go back to Iron Binding Sites List in 5ad6
Iron binding site 2 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(Dimethylamino)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-(Dimethylamino)Methyl)Phenoxy) Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe750

b:16.6
occ:1.00
 FE B:HEM750 0.0 16.6 1.0
NC B:HEM750 2.0 24.4 1.0
ND B:HEM750 2.1 14.3 1.0
NA B:HEM750 2.1 24.3 1.0
NB B:HEM750 2.1 30.3 1.0
SG B:CYS415 2.3 18.2 1.0
C4D B:HEM750 3.0 21.9 1.0
C1C B:HEM750 3.1 20.2 1.0
C1D B:HEM750 3.1 20.3 1.0
C4C B:HEM750 3.1 24.6 1.0
C1A B:HEM750 3.1 21.9 1.0
C4B B:HEM750 3.1 32.7 1.0
C1B B:HEM750 3.2 27.5 1.0
C4A B:HEM750 3.2 15.0 1.0
C04 B:7M3800 3.4 24.7 1.0
CHA B:HEM750 3.4 19.6 1.0
CHC B:HEM750 3.4 29.3 1.0
CHD B:HEM750 3.5 22.9 1.0
CB B:CYS415 3.5 10.2 1.0
CHB B:HEM750 3.5 24.5 1.0
C03 B:7M3800 3.7 18.4 1.0
C05 B:7M3800 3.8 22.2 1.0
CA B:CYS415 4.2 10.4 1.0
C3D B:HEM750 4.3 20.4 1.0
C06 B:7M3800 4.3 28.3 1.0
C2C B:HEM750 4.3 21.9 1.0
C2D B:HEM750 4.3 20.4 1.0
C3C B:HEM750 4.3 19.1 1.0
C2A B:HEM750 4.3 30.4 1.0
C3B B:HEM750 4.3 33.4 1.0
C02 B:7M3800 4.4 21.9 1.0
C3A B:HEM750 4.4 27.0 1.0
C2B B:HEM750 4.4 28.0 1.0
C10 B:7M3800 4.4 31.5 1.0
NE1 B:TRP409 4.5 15.7 1.0
N01 B:7M3800 4.7 22.1 1.0
N B:GLY417 4.8 23.3 1.0
C B:CYS415 4.9 12.4 1.0
N B:VAL416 5.0 11.8 1.0

Reference:

M.A.Cinelli, H.Li, A.V.Pensa, S.Kang, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. Phenyl Ether- and Aniline-Containing 2-Aminoquinolines As Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. V. 58 8694 2015.
ISSN: ISSN 0022-2623
PubMed: 26469213
DOI: 10.1021/ACS.JMEDCHEM.5B01330
Page generated: Mon Aug 5 18:53:31 2024

Last articles

Cl in 5MOD
Cl in 5MO8
Cl in 5MOC
Cl in 5MO7
Cl in 5MMR
Cl in 5MO6
Cl in 5MO5
Cl in 5MO4
Cl in 5MMF
Cl in 5MMY
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy