Atomistry » Arsenic » PDB 5oc4-5yva » 5vv9
Atomistry »
  Arsenic »
    PDB 5oc4-5yva »
      5vv9 »

Arsenic in PDB 5vv9: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile, PDB code: 5vv9 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) 38.92 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.245, 106.127, 155.832, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 25.6

Other elements in 5vv9:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile also contains other interesting chemical elements:

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 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile (pdb code 5vv9). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile, PDB code: 5vv9:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 5vv9

Go back to Arsenic Binding Sites List in 5vv9
Arsenic binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile


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 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:0.7
occ:1.00
 AS A:CAS384 0.0 0.7 1.0
CE1 A:CAS384 2.0 0.4 1.0
CE2 A:CAS384 2.0 68.8 1.0
SG A:CAS384 2.5 77.3 1.0
CB A:CAS384 3.1 54.5 1.0
CA A:CAS384 3.9 63.0 1.0
CE3 A:TRP324 4.4 69.9 1.0
CD2 A:TRP324 4.6 71.8 1.0
CB A:TRP324 4.7 73.1 1.0
N A:CAS384 4.8 54.3 1.0
CG A:TRP324 4.8 74.2 1.0
CD2 A:LEU328 4.8 55.4 1.0

Arsenic binding site 2 out of 2 in 5vv9

Go back to Arsenic Binding Sites List in 5vv9
Arsenic binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(((2-Amino-4-Methylquinolin-7-Yl)Methyl)Amino) Ethyl)Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As384

b:1.0
occ:1.00
 AS B:CAS384 0.0 1.0 1.0
CE2 B:CAS384 2.0 0.7 1.0
CE1 B:CAS384 2.0 0.8 1.0
SG B:CAS384 2.3 0.1 1.0
CB B:CAS384 2.7 0.5 1.0
CA B:CAS384 3.6 97.8 1.0
CE3 B:TRP324 4.0 84.1 1.0
CD2 B:TRP324 4.5 90.9 1.0
CZ3 B:TRP324 4.5 86.7 1.0
N B:CAS384 4.5 95.6 1.0
C B:CAS384 4.8 84.8 1.0
CB B:TRP324 4.8 93.0 1.0
CG B:TRP324 4.9 93.5 1.0
O B:CAS384 4.9 92.6 1.0

Reference:

A.V.Pensa, M.A.Cinelli, H.Li, G.Chreifi, P.Mukherjee, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines As Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem. V. 60 7146 2017.
ISSN: ISSN 1520-4804
PubMed: 28776992
DOI: 10.1021/ACS.JMEDCHEM.7B00835
Page generated: Wed Jul 10 13:08:04 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy