Atomistry » Chlorine » PDB 5p9o-5pb2 » 5p9o
Atomistry »
  Chlorine »
    PDB 5p9o-5pb2 »
      5p9o »

Chlorine in PDB 5p9o: Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One

Enzymatic activity of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One

All present enzymatic activity of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One:
2.1.1.6;

Protein crystallography data

The structure of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9o was solved by A.Ehler, C.Lerner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.40 / 1.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.711, 54.666, 81.533, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 18.8

Other elements in 5p9o:

The structure of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One (pdb code 5p9o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9o:

Chlorine binding site 1 out of 1 in 5p9o

Go back to Chlorine Binding Sites List in 5p9o
Chlorine binding site 1 out of 1 in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:15.0
occ:1.00
 O A:HOH615 3.2 27.1 1.0
O A:HOH537 3.3 19.1 1.0
N A:TYR200 3.3 8.6 1.0
N A:ASP44 3.4 9.1 1.0
N A:ALA45 3.5 11.6 1.0
O A:HOH466 3.7 13.2 1.0
O A:HOH589 4.0 29.9 1.0
CA A:GLU199 4.0 7.6 1.0
CD1 A:TYR200 4.1 11.7 1.0
CA A:TYR200 4.1 9.5 1.0
CA A:ASP44 4.1 9.9 1.0
CB A:ALA45 4.1 14.1 1.0
C A:GLY43 4.2 8.7 1.0
CB A:ASP44 4.2 12.5 1.0
C A:GLU199 4.2 8.2 1.0
CA A:GLY43 4.2 9.3 1.0
C A:ASP44 4.3 10.1 1.0
CE1 A:TYR200 4.4 14.1 1.0
CA A:ALA45 4.5 12.2 1.0
O A:HOH524 4.6 35.5 1.0
CB A:GLU199 4.7 7.8 1.0
CG A:TYR200 4.7 10.7 1.0
O A:LEU198 4.8 8.7 1.0
O A:HOH497 4.9 24.7 1.0
O A:HOH638 5.0 23.2 1.0

Reference:

C.Lerner, R.Jakob-Roetne, K.Groebke-Zbinden, B.Buettelmann, M.G.Rudolph. Crystal Structure of A Comt Complex To Be Published.
Page generated: Sat Dec 12 12:14:44 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy