Atomistry » Chlorine » PDB 4ibf-4iij » 4igf
Atomistry »
  Chlorine »
    PDB 4ibf-4iij »
      4igf »

Chlorine in PDB 4igf: Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One

Enzymatic activity of Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One

All present enzymatic activity of Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One:
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One, PDB code: 4igf was solved by D.Kostrewa, R.Perozzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.98 / 2.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 131.556, 131.556, 82.635, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 20.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One (pdb code 4igf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One, PDB code: 4igf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4igf

Go back to Chlorine Binding Sites List in 4igf
Chlorine binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:43.2
occ:0.50
 CL1 A:CHV501 0.0 43.2 0.5
C17 A:CHV501 1.7 28.8 0.5
C16 A:CHV501 2.7 33.7 0.5
C18 A:CHV501 2.7 32.5 0.5
O7N A:NAD502 3.5 47.3 0.5
CE2 A:PHE368 3.6 78.7 1.0
CZ A:PHE368 3.6 75.6 1.0
CZ A:TYR267 3.6 22.4 1.0
CD1 A:ILE369 3.8 38.6 1.0
CE1 A:TYR267 3.8 18.2 1.0
CE2 A:TYR267 3.9 22.8 1.0
C19 A:CHV501 4.0 36.4 0.5
C15 A:CHV501 4.0 33.6 0.5
OH A:TYR267 4.0 22.2 1.0
C4N A:NAD502 4.0 30.6 0.5
CD1 A:TYR267 4.2 14.4 1.0
C7N A:NAD502 4.2 48.0 0.5
CD2 A:TYR267 4.3 17.4 1.0
C3N A:NAD502 4.3 42.7 0.5
CB A:PRO314 4.3 19.4 1.0
CG A:TYR267 4.5 17.4 1.0
C14 A:CHV501 4.5 41.1 0.5
CA A:PRO314 4.6 21.8 1.0
CE1 A:TYR277 4.6 18.5 1.0
CD1 A:TYR277 4.8 19.6 1.0
CE1 A:PHE368 4.8 75.1 1.0
CD2 A:PHE368 4.8 77.2 1.0
CB A:ALA372 5.0 30.8 1.0

Chlorine binding site 2 out of 2 in 4igf

Go back to Chlorine Binding Sites List in 4igf
Chlorine binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 3-(4-Chloro-2-Hydroxyphenoxy)-7-Hydroxy-2H-Chromen-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:15.0
occ:0.50
 CL1 B:CHV501 0.0 15.0 0.5
C17 B:CHV501 1.7 2.4 0.5
C18 B:CHV501 2.7 11.3 0.5
C16 B:CHV501 2.7 12.7 0.5
O7N B:NAD502 3.3 25.0 1.0
CZ B:TYR267 3.6 16.9 1.0
CE2 B:PHE368 3.7 37.3 1.0
CE1 B:TYR267 3.7 13.7 1.0
CE2 B:TYR267 3.8 15.4 1.0
C4N B:NAD502 3.9 21.0 1.0
C19 B:CHV501 4.0 23.4 0.5
C15 B:CHV501 4.0 21.8 0.5
CD1 B:TYR267 4.0 16.2 1.0
OH B:TYR267 4.0 16.3 1.0
CD2 B:TYR267 4.0 16.8 1.0
C7N B:NAD502 4.1 22.2 1.0
CD1 B:ILE369 4.1 19.0 1.0
CZ B:PHE368 4.1 32.2 1.0
C3N B:NAD502 4.1 23.3 1.0
CG B:TYR267 4.2 12.6 1.0
C14 B:CHV501 4.5 23.5 0.5
CE1 B:TYR277 4.5 15.6 1.0
CA B:PRO314 4.7 20.1 1.0
CB B:PRO314 4.7 20.6 1.0
C5N B:NAD502 4.8 22.9 1.0
CD1 B:TYR277 4.8 17.8 1.0
CD2 B:PHE368 4.8 37.0 1.0
CD1 B:ILE323 4.9 59.0 1.0

Reference:

F.Belluti, R.Perozzo, L.Lauciello, F.Colizzi, D.Kostrewa, A.Bisi, S.Gobbi, A.Rampa, M.L.Bolognesi, M.Recanatini, R.Brun, L.Scapozza, A.Cavalli. Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium Falciparum Enoyl-Acp-Reductase (Pffabi) J.Med.Chem. V. 56 7516 2013.
ISSN: ISSN 0022-2623
PubMed: 24063369
DOI: 10.1021/JM400637M
Page generated: Sun Jul 21 16:37:58 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy