Atomistry » Iron » PDB 5adf-5az3 » 5adj
Atomistry »
  Iron »
    PDB 5adf-5az3 »
      5adj »

Iron in PDB 5adj: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine, PDB code: 5adj 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) 48.140 / 2.22
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.614, 105.813, 156.308, 90.00, 90.00, 90.00
R / Rfree (%) 16.36 / 20.96

Other elements in 5adj:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine also contains other interesting chemical elements:

Arsenic (As) 2 atoms
Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine (pdb code 5adj). 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 Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine, PDB code: 5adj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5adj

Go back to Iron Binding Sites List in 5adj
Iron binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) 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 Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:35.9
occ:1.00
 FE A:HEM500 0.0 35.9 1.0
NB A:HEM500 2.0 21.3 1.0
NC A:HEM500 2.0 23.0 1.0
ND A:HEM500 2.0 26.1 1.0
NA A:HEM500 2.0 32.4 1.0
SG A:CYS186 2.4 34.4 1.0
C1B A:HEM500 2.9 23.2 1.0
C4C A:HEM500 3.0 26.7 1.0
C1D A:HEM500 3.0 30.6 1.0
C4A A:HEM500 3.0 29.9 1.0
C4B A:HEM500 3.1 26.5 1.0
C1C A:HEM500 3.1 20.7 1.0
C4D A:HEM500 3.1 32.0 1.0
C1A A:HEM500 3.1 33.4 1.0
CB A:CYS186 3.2 31.8 1.0
CHB A:HEM500 3.3 28.5 1.0
CHD A:HEM500 3.3 30.6 1.0
C04 A:M94800 3.3 33.1 1.0
CHA A:HEM500 3.5 32.9 1.0
CHC A:HEM500 3.5 26.6 1.0
C05 A:M94800 3.7 37.9 1.0
C03 A:M94800 3.8 35.5 1.0
CA A:CYS186 4.0 35.9 1.0
C06 A:M94800 4.0 44.9 1.0
C2B A:HEM500 4.2 25.9 1.0
C3C A:HEM500 4.2 28.4 1.0
C3B A:HEM500 4.3 27.2 1.0
C2D A:HEM500 4.3 29.3 1.0
C3A A:HEM500 4.3 30.8 1.0
C2C A:HEM500 4.3 25.3 1.0
C3D A:HEM500 4.3 31.5 1.0
NE1 A:TRP180 4.3 32.7 1.0
C2A A:HEM500 4.3 36.6 1.0
C10 A:M94800 4.4 42.1 1.0
C02 A:M94800 4.5 42.4 1.0
C A:CYS186 4.7 42.6 1.0
N A:GLY188 4.8 28.5 1.0
N01 A:M94800 4.8 40.9 1.0
N A:VAL187 4.8 37.8 1.0
C07 A:M94800 4.9 52.4 1.0
CD1 A:TRP180 5.0 34.9 1.0

Iron binding site 2 out of 2 in 5adj

Go back to Iron Binding Sites List in 5adj
Iron binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) 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 Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(2-(Methylamino)Ethyl) Phenoxy)Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:37.9
occ:1.00
 FE B:HEM500 0.0 37.9 1.0
NC B:HEM500 2.1 34.5 1.0
NB B:HEM500 2.1 38.5 1.0
ND B:HEM500 2.1 39.1 1.0
NA B:HEM500 2.1 34.6 1.0
SG B:CYS186 2.3 37.1 1.0
C4C B:HEM500 3.0 38.5 1.0
C1D B:HEM500 3.1 39.7 1.0
C1B B:HEM500 3.1 35.3 1.0
C4A B:HEM500 3.1 37.0 1.0
C1C B:HEM500 3.1 35.8 1.0
C4D B:HEM500 3.1 41.1 1.0
C4B B:HEM500 3.2 38.4 1.0
C04 B:M94800 3.2 37.2 1.0
C1A B:HEM500 3.2 36.0 1.0
CHD B:HEM500 3.4 39.9 1.0
CHB B:HEM500 3.4 38.1 1.0
CB B:CYS186 3.5 33.0 1.0
CHC B:HEM500 3.5 33.9 1.0
CHA B:HEM500 3.5 37.1 1.0
C05 B:M94800 3.7 46.8 1.0
C03 B:M94800 3.7 46.8 1.0
C06 B:M94800 4.0 53.9 1.0
CA B:CYS186 4.1 36.2 1.0
NE1 B:TRP180 4.3 35.6 1.0
C3C B:HEM500 4.3 38.0 1.0
C2B B:HEM500 4.3 41.1 1.0
C2D B:HEM500 4.3 40.1 1.0
C2C B:HEM500 4.3 33.4 1.0
C3A B:HEM500 4.3 39.5 1.0
C3D B:HEM500 4.3 40.7 1.0
C3B B:HEM500 4.4 39.4 1.0
C2A B:HEM500 4.4 42.1 1.0
C10 B:M94800 4.5 51.5 1.0
C02 B:M94800 4.5 50.0 1.0
N B:GLY188 4.7 37.0 1.0
C B:CYS186 4.8 33.0 1.0
N01 B:M94800 4.9 50.9 1.0
N B:VAL187 4.9 39.3 1.0
CD1 B:TRP180 4.9 32.8 1.0
CA B:GLY188 5.0 29.9 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 19:32:29 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy