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Chlorine in PDB 5pa1: Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol

Enzymatic activity of Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol

All present enzymatic activity of Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol:
2.1.1.6;

Protein crystallography data

The structure of Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol, PDB code: 5pa1 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) 32.43 / 1.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.047, 54.205, 80.932, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 18.2

Other elements in 5pa1:

The structure of Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol (pdb code 5pa1). 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 Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol, PDB code: 5pa1:

Chlorine binding site 1 out of 1 in 5pa1

Go back to Chlorine Binding Sites List in 5pa1
Chlorine binding site 1 out of 1 in the Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:14.8
occ:1.00
 O A:HOH617 3.2 28.8 1.0
N A:TYR200 3.3 8.7 1.0
O A:HOH504 3.3 19.9 1.0
N A:ASP44 3.4 10.0 1.0
O A:HOH612 3.4 30.5 1.0
N A:ALA45 3.5 10.6 1.0
O A:HOH481 3.7 10.9 1.0
O A:HOH582 4.0 28.7 1.0
CA A:GLU199 4.0 7.2 1.0
CD1 A:TYR200 4.1 12.0 1.0
CA A:TYR200 4.1 10.6 1.0
CA A:ASP44 4.1 11.0 1.0
CB A:ALA45 4.1 11.3 1.0
C A:GLY43 4.2 9.4 1.0
C A:GLU199 4.2 7.9 1.0
CB A:ASP44 4.2 13.5 1.0
CA A:GLY43 4.2 8.9 1.0
C A:ASP44 4.3 10.8 1.0
CE1 A:TYR200 4.4 12.6 1.0
CA A:ALA45 4.4 10.9 1.0
CG A:TYR200 4.7 10.7 1.0
CB A:GLU199 4.7 7.8 1.0
O A:LEU198 4.8 8.8 1.0
O A:HOH459 4.9 22.1 1.0
O A:HOH640 5.0 26.8 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 07:10:50 2025

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