Atomistry » Magnesium » PDB 5lmn-5ltt » 5lqc
Atomistry »
  Magnesium »
    PDB 5lmn-5ltt »
      5lqc »

Magnesium in PDB 5lqc: Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide

Enzymatic activity of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide

All present enzymatic activity of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide:
2.1.1.6;

Protein crystallography data

The structure of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5lqc was solved by A.Ehler, M.Ellermann, C.Lerner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.56 / 1.90
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 50.758, 50.758, 170.215, 90.00, 90.00, 120.00
R / Rfree (%) 19.9 / 25

Other elements in 5lqc:

The structure of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide also contains other interesting chemical elements:

Fluorine (F) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide (pdb code 5lqc). 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 Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5lqc:

Magnesium binding site 1 out of 1 in 5lqc

Go back to Magnesium Binding Sites List in 5lqc
Magnesium binding site 1 out of 1 in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:29.0
occ:1.00
 O34 A:542301 1.9 35.5 1.0
O A:HOH402 2.0 39.3 1.0
OD1 A:ASP141 2.1 35.5 1.0
OD2 A:ASP169 2.2 47.3 1.0
O32 A:542301 2.2 38.1 1.0
OD1 A:ASN170 2.2 36.5 1.0
C33 A:542301 2.8 35.1 1.0
C31 A:542301 2.9 32.5 1.0
CG A:ASP141 3.0 42.0 1.0
CG A:ASN170 3.1 30.9 1.0
OD2 A:ASP141 3.2 36.2 1.0
CG A:ASP169 3.3 40.0 1.0
ND2 A:ASN170 3.4 31.4 1.0
NZ A:LYS144 3.9 30.1 1.0
CB A:ASP169 3.9 29.1 1.0
C23 A:542301 4.1 39.0 1.0
OD1 A:ASP169 4.2 34.5 1.0
C20 A:542301 4.3 37.4 1.0
O A:MET40 4.3 53.0 1.0
OE2 A:GLU199 4.4 41.6 1.0
CB A:ASP141 4.5 33.4 1.0
CB A:ASN170 4.5 30.1 1.0
CE A:LYS144 4.7 30.2 1.0
O A:ASP141 4.8 39.4 1.0
N17 A:542301 4.9 33.9 1.0
CA A:ASP141 5.0 32.7 1.0
CA A:VAL42 5.0 49.5 1.0

Reference:

M.Ellermann, C.Lerner, M.G.Rudolph. No Title Yet To Be Published.
Page generated: Sun Sep 29 20:26:31 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy