Atomistry » Bromine » PDB 7o45-7pve » 7pve
Atomistry »
  Bromine »
    PDB 7o45-7pve »
      7pve »

Bromine in PDB 7pve: Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole

Enzymatic activity of Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole

All present enzymatic activity of Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole:
2.7.7.15;

Protein crystallography data

The structure of Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole, PDB code: 7pve was solved by C.Duclovel, M.Gelin, I.Krimm, R.Cerdan, J.-F.Guichou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.97 / 2.39
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 50.497, 70.089, 118.448, 90, 90, 90
R / Rfree (%) 20 / 22.9

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole (pdb code 7pve). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole, PDB code: 7pve:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7pve

Go back to Bromine Binding Sites List in 7pve
Bromine binding site 1 out of 2 in the Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br801

b:103.9
occ:0.60
 BR01 A:ES3801 0.0 103.9 0.6
C02 A:ES3801 1.9 59.9 1.0
N06 A:ES3801 2.9 57.3 1.0
C03 A:ES3801 3.0 54.5 1.0
H03 A:ES3801 3.3 65.5 1.0
CE A:LYS663 3.7 59.3 1.0
C05 A:ES3801 4.1 53.0 1.0
CD A:LYS663 4.1 57.5 1.0
N04 A:ES3801 4.1 52.5 1.0
CA A:GLY624 4.2 40.2 1.0
CG2 A:VAL625 4.4 42.2 1.0
NZ A:LYS663 4.4 68.0 1.0
N A:VAL625 4.5 40.2 1.0
CH2 A:TRP692 4.6 50.1 1.0
C A:GLY624 4.7 40.4 1.0
CG2 A:THR654 4.9 39.1 1.0
CZ3 A:TRP692 4.9 47.0 1.0
HN04 A:ES3801 4.9 63.1 1.0
H05 A:ES3801 4.9 63.8 1.0

Bromine binding site 2 out of 2 in 7pve

Go back to Bromine Binding Sites List in 7pve
Bromine binding site 2 out of 2 in the Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the C-Terminal Catalytic Domain of Plasmodium Falciparum Ctp:Phosphocholine Cytidylyltransferase with 4-Bromo-1H- Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br802

b:69.6
occ:0.70
 BR01 A:ES3802 0.0 69.6 0.7
C02 A:ES3802 1.9 53.3 1.0
N06 A:ES3802 2.9 44.0 1.0
C03 A:ES3802 2.9 47.3 1.0
H03 A:ES3802 3.2 56.8 1.0
CE1 A:TYR702 3.7 39.2 1.0
O A:HOH918 4.0 52.4 1.0
C05 A:ES3802 4.0 32.9 1.0
N04 A:ES3802 4.1 45.6 1.0
CD1 A:TYR702 4.3 42.9 1.0
CZ A:TYR702 4.7 42.5 1.0
OH A:TYR702 4.8 46.0 1.0
HN04 A:ES3802 4.9 54.8 1.0
H05 A:ES3802 4.9 39.6 1.0

Reference:

C.Duclovel, M.Gelin, S.Wein, K.Wengelnik, I.Krimm, J.F.Guichou, R.Cerdan. Crystallographic Screening Using Ultra-Low-Molecular-Weight Ligands to Guide Drug Design of Pfcct Inhibitors To Be Published.
Page generated: Thu Jul 11 04:21:52 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