Atomistry » Chlorine » PDB 5ouo-5p9p » 5p9p
Atomistry »
  Chlorine »
    PDB 5ouo-5p9p »
      5p9p »

Chlorine in PDB 5p9p: Humanized Rat Comt in Complex with 5,6-Bis(4-Fluorophenyl)-8-Hydroxy- 3H-Quinazolin-4-One

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

All present enzymatic activity of Humanized Rat Comt in Complex with 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 5,6-Bis(4-Fluorophenyl)-8-Hydroxy- 3H-Quinazolin-4-One, PDB code: 5p9p was solved by A.Ehler, R.Jakob-Roetne, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.42 / 1.12
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.722, 54.617, 81.350, 90.00, 90.00, 90.00
R / Rfree (%) 14.3 / 16.4

Other elements in 5p9p:

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

Fluorine (F) 2 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Humanized Rat Comt in Complex with 5,6-Bis(4-Fluorophenyl)-8-Hydroxy- 3H-Quinazolin-4-One (pdb code 5p9p). 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 5,6-Bis(4-Fluorophenyl)-8-Hydroxy- 3H-Quinazolin-4-One, PDB code: 5p9p:

Chlorine binding site 1 out of 1 in 5p9p

Go back to Chlorine Binding Sites List in 5p9p
Chlorine binding site 1 out of 1 in the Humanized Rat Comt in Complex with 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 5,6-Bis(4-Fluorophenyl)-8-Hydroxy- 3H-Quinazolin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:16.2
occ:1.00
 O A:HOH535 2.9 22.2 0.5
O A:HOH650 3.2 25.6 1.0
O A:HOH555 3.3 20.5 1.0
N A:ASP44 3.4 10.6 1.0
N A:TYR200 3.4 9.5 1.0
O A:HOH535 3.4 23.4 0.5
N A:ALA45 3.5 11.9 1.0
O A:HOH479 3.6 13.3 1.0
CA A:GLU199 4.0 8.3 1.0
CD1 A:TYR200 4.1 13.1 1.0
CA A:ASP44 4.1 11.4 1.0
O A:HOH625 4.1 30.2 1.0
C A:GLY43 4.1 9.3 1.0
CA A:TYR200 4.1 10.6 1.0
CB A:ALA45 4.1 14.2 1.0
CA A:GLY43 4.2 9.7 1.0
C A:GLU199 4.2 8.6 1.0
C A:ASP44 4.3 10.5 1.0
CB A:ASP44 4.3 13.2 1.0
CE1 A:TYR200 4.4 13.4 1.0
O A:HOH587 4.4 38.2 1.0
CA A:ALA45 4.5 11.4 1.0
CB A:GLU199 4.7 8.3 1.0
CG A:TYR200 4.7 11.2 1.0
O A:LEU198 4.9 8.8 1.0
O A:HOH527 4.9 23.9 1.0
O A:HOH678 5.0 25.0 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 07:09:47 2025

Last articles

Mg in 2UU7
Mg in 2UAG
Mg in 2UKD
Mg in 2SHK
Mg in 2TPS
Mg in 2TRT
Mg in 2TRA
Mg in 2RMK
Mg in 2RUS
Mg in 2TCT
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy