Atomistry » Chlorine » PDB 5ouo-5p9p » 5p9o
Atomistry »
  Chlorine »
    PDB 5ouo-5p9p »
      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 Jul 12 07:09:36 2025

Last articles

Mg in 1KEK
Mg in 1KCZ
Mg in 1KDH
Mg in 1KBY
Mg in 1KC7
Mg in 1KC3
Mg in 1KBZ
Mg in 1KC1
Mg in 1KAZ
Mg in 1K9W
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy