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Arsenic in PDB 4cft: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)Ethyl) Quinolin-2-Amine

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

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)Ethyl) 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-Fluorophenethylamino)Ethyl) Quinolin-2-Amine, PDB code: 4cft 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) 88.13 / 1.79
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.811, 106.512, 156.948, 90.00, 90.00, 90.00
R / Rfree (%) 16.491 / 19.242

Other elements in 4cft:

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

Fluorine (F) 2 atoms
Iron (Fe) 2 atoms
Zinc (Zn) 1 atom

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)Ethyl) Quinolin-2-Amine (pdb code 4cft). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)Ethyl) Quinolin-2-Amine, PDB code: 4cft:

Arsenic binding site 1 out of 1 in 4cft

Go back to Arsenic Binding Sites List in 4cft
Arsenic binding site 1 out of 1 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)Ethyl) Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-Fluorophenethylamino)Ethyl) Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:82.0
occ:1.00
 AS A:CAS384 0.0 82.0 1.0
CE2 A:CAS384 2.0 87.1 1.0
CE1 A:CAS384 2.0 68.1 1.0
SG A:CAS384 2.5 45.2 1.0
CB A:CAS384 3.2 43.3 1.0
CA A:CAS384 3.8 41.0 1.0
CE3 A:TRP324 4.6 38.6 1.0
N A:CAS384 4.7 40.4 1.0
CD2 A:TRP324 4.8 39.8 1.0
C A:CAS384 4.9 41.9 1.0
O A:CAS384 4.9 41.3 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: Sat Dec 12 01:42:28 2020

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