Atomistry » Magnesium » PDB 5osk-5p9s » 5p9b
Atomistry »
  Magnesium »
    PDB 5osk-5p9s »
      5p9b »

Magnesium in PDB 5p9b: Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A

Enzymatic activity of Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A

All present enzymatic activity of Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A:
2.1.1.6;

Protein crystallography data

The structure of Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A, PDB code: 5p9b 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) 44.64 / 1.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.940, 53.644, 80.503, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 18.4

Other elements in 5p9b:

The structure of Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A also contains other interesting chemical elements:

Fluorine (F) 1 atom
Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A (pdb code 5p9b). 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 N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A, PDB code: 5p9b:

Magnesium binding site 1 out of 1 in 5p9b

Go back to Magnesium Binding Sites List in 5p9b
Magnesium binding site 1 out of 1 in the Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A


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 N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:4.7
occ:1.00
 OD1 A:ASP141 2.1 4.5 1.0
O A:HOH429 2.1 5.0 1.0
OD2 A:ASP169 2.1 5.4 1.0
O18 A:77P304 2.1 6.9 1.0
OD1 A:ASN170 2.1 4.7 1.0
O17 A:77P304 2.2 6.6 1.0
C9 A:77P304 2.9 7.0 1.0
C10 A:77P304 2.9 5.6 1.0
CG A:ASP141 3.0 5.7 1.0
CG A:ASN170 3.1 2.7 1.0
CG A:ASP169 3.2 4.8 1.0
OD2 A:ASP141 3.3 5.5 1.0
ND2 A:ASN170 3.4 4.5 1.0
CB A:ASP169 3.7 5.1 1.0
NZ A:LYS144 3.9 4.4 1.0
O A:HOH555 4.0 12.0 1.0
OD1 A:ASP169 4.2 5.1 1.0
OE2 A:GLU199 4.2 5.7 1.0
C8 A:77P304 4.2 6.1 1.0
C11 A:77P304 4.3 5.2 1.0
O A:MET40 4.3 6.0 1.0
CB A:ASP141 4.4 4.3 1.0
CB A:ASN170 4.5 4.9 1.0
O A:ASP141 4.6 5.4 1.0
CE A:LYS144 4.7 2.9 1.0
CG2 A:VAL42 4.7 5.5 0.5
NZ A:LYS46 4.7 5.1 1.0
OE1 A:GLU199 4.8 5.1 1.0
N15 A:77P304 4.8 7.4 1.0
CA A:ASP141 4.8 4.0 1.0
CD A:GLU199 4.9 5.2 1.0
CA A:ASP169 5.0 4.9 1.0

Reference:

C.Lerner, M.G.Rudolph. Crystal Structure of A Comt Complex To Be Published.
Page generated: Mon Sep 30 01:28:11 2024

Last articles

Ca in 2W73
Ca in 2WCP
Ca in 2WD6
Ca in 2WCA
Ca in 2W49
Ca in 2WC4
Ca in 2WBX
Ca in 2WBW
Ca in 2WBF
Ca in 2W95
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy