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Magnesium 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
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total only one binding site of Magnesium was determined in the Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol, PDB code: 5pa1:

Magnesium binding site 1 out of 1 in 5pa1

Go back to Magnesium Binding Sites List in 5pa1
Magnesium 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 Magnesium with other atoms in the Mg 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:Mg301

b:7.1
occ:1.00
 O A:HOH420 2.0 7.6 1.0
OD1 A:ASP141 2.1 7.0 1.0
OD2 A:ASP169 2.1 8.6 1.0
O11 A:7JS308 2.1 7.5 1.0
OD1 A:ASN170 2.2 7.3 1.0
N8 A:7JS308 2.3 7.6 1.0
C2 A:7JS308 3.0 6.9 1.0
CG A:ASP141 3.0 6.7 1.0
C3 A:7JS308 3.0 7.0 1.0
CG A:ASN170 3.1 6.5 1.0
CG A:ASP169 3.2 7.3 1.0
OD2 A:ASP141 3.2 7.9 1.0
C17 A:7JS308 3.3 7.8 1.0
ND2 A:ASN170 3.4 8.1 1.0
CB A:ASP169 3.7 7.7 1.0
NZ A:LYS144 4.1 8.4 1.0
OD1 A:ASP169 4.2 8.4 1.0
O A:MET40 4.2 9.6 1.0
OE2 A:GLU199 4.2 8.5 1.0
C4 A:7JS308 4.3 7.2 1.0
C5 A:7JS308 4.4 7.6 1.0
CB A:ASP141 4.4 7.1 1.0
CB A:ASN170 4.5 7.9 1.0
C18 A:7JS308 4.6 7.4 1.0
NZ A:LYS46 4.7 9.6 1.0
OE1 A:GLU199 4.8 8.4 1.0
O A:ASP141 4.8 7.4 1.0
CA A:ASP141 4.9 6.2 1.0
CD A:GLU199 4.9 7.7 1.0
CE A:LYS144 4.9 9.2 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: Mon Sep 30 01:56:02 2024

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