Atomistry » Arsenic » PDB 4cx1-4j8m » 4d35
Atomistry »
  Arsenic »
    PDB 4cx1-4j8m »
      4d35 »

Arsenic in PDB 4d35: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine, PDB code: 4d35 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) 87.78 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.633, 105.896, 156.954, 90.00, 90.00, 90.00
R / Rfree (%) 18.56 / 23.957

Other elements in 4d35:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-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 N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine (pdb code 4d35). 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 N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine, PDB code: 4d35:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 4d35

Go back to Arsenic Binding Sites List in 4d35
Arsenic binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-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 N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:86.1
occ:1.00
 AS A:CAS384 0.0 86.1 1.0
CE2 A:CAS384 2.0 60.6 1.0
CE1 A:CAS384 2.0 57.5 1.0
SG A:CAS384 2.4 48.2 1.0
CB A:CAS384 3.2 41.9 1.0
CA A:CAS384 3.9 41.5 1.0
CE3 A:TRP324 4.4 38.5 1.0
CD2 A:TRP324 4.6 39.3 1.0
N A:CAS384 4.7 41.1 1.0
CG A:TRP324 4.8 39.9 1.0
CB A:TRP324 4.9 41.5 1.0
CD1 A:LEU328 4.9 37.8 1.0
CZ3 A:TRP324 5.0 36.4 1.0
C A:CAS384 5.0 42.0 1.0

Arsenic binding site 2 out of 2 in 4d35

Go back to Arsenic Binding Sites List in 4d35
Arsenic binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine


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 N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin- 4-Yl)Ethyl-3-(3-Fluorophenyl)Propan-1-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As384

b:0.9
occ:1.00
 AS B:CAS384 0.0 0.9 1.0
CE2 B:CAS384 2.0 78.0 1.0
CE1 B:CAS384 2.0 77.2 1.0
SG B:CAS384 2.7 76.2 1.0
CB B:CAS384 3.3 59.8 1.0
CA B:CAS384 4.0 58.5 1.0
CE3 B:TRP324 4.2 53.7 1.0
CB B:TRP324 4.2 62.0 1.0
CD2 B:TRP324 4.3 57.7 1.0
CG B:TRP324 4.4 61.5 1.0
N B:CAS384 4.9 56.4 1.0
CZ3 B:TRP324 4.9 49.6 1.0

Reference:

P.Mukherjee, H.Li, I.F.Sevrioukova, G.Chreifi, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Novel 2,4-Disubstituted Pyrimidines As Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. 2014.
ISSN: ESSN 1520-4804
PubMed: 25489882
DOI: 10.1021/JM501719E
Page generated: Wed Jul 10 12:05:37 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy