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

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

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

All present enzymatic activity of Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 7-(4-Chloro-2-Hydroxyphenoxy)-4-Methyl-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 7-(4-Chloro-2-Hydroxyphenoxy)-4-Methyl-2H-Chromen-2-One, PDB code: 4ige 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) 65.74 / 2.15
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 131.487, 131.487, 82.858, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 20.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 7-(4-Chloro-2-Hydroxyphenoxy)-4-Methyl-2H-Chromen-2-One (pdb code 4ige). 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 7-(4-Chloro-2-Hydroxyphenoxy)-4-Methyl-2H-Chromen-2-One, PDB code: 4ige:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4ige

Go back to Chlorine Binding Sites List in 4ige
Chlorine binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 7-(4-Chloro-2-Hydroxyphenoxy)-4-Methyl-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 7-(4-Chloro-2-Hydroxyphenoxy)-4-Methyl-2H-Chromen-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:36.8
occ:1.00
 CL1 A:CHJ501 0.0 36.8 1.0
C17 A:CHJ501 1.7 37.5 1.0
C16 A:CHJ501 2.7 34.0 1.0
C18 A:CHJ501 2.7 42.1 1.0
CZ A:TYR267 3.5 29.1 1.0
O7N A:NAD502 3.6 30.1 1.0
CE2 A:PHE368 3.7 47.7 1.0
CE2 A:TYR267 3.7 20.6 1.0
CE1 A:TYR267 3.8 25.1 1.0
CD1 A:ILE369 3.9 39.6 1.0
OH A:TYR267 3.9 27.7 1.0
CZ A:PHE368 3.9 46.5 1.0
C15 A:CHJ501 4.0 39.1 1.0
C19 A:CHJ501 4.0 47.1 1.0
CD2 A:TYR267 4.1 20.2 1.0
CD1 A:TYR267 4.2 18.8 1.0
C4N A:NAD502 4.3 30.7 1.0
C7N A:NAD502 4.3 31.5 1.0
CG A:TYR267 4.4 23.6 1.0
CB A:PRO314 4.4 28.7 1.0
C14 A:CHJ501 4.5 44.7 1.0
C3N A:NAD502 4.5 34.0 1.0
CA A:PRO314 4.6 24.9 1.0
CE1 A:TYR277 4.7 21.4 1.0
CD2 A:PHE368 4.8 41.0 1.0
CD1 A:TYR277 4.9 23.2 1.0

Chlorine binding site 2 out of 2 in 4ige

Go back to Chlorine Binding Sites List in 4ige
Chlorine binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Fabi Complexed with Nad and Inhibitor 7-(4-Chloro-2-Hydroxyphenoxy)-4-Methyl-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 7-(4-Chloro-2-Hydroxyphenoxy)-4-Methyl-2H-Chromen-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:35.3
occ:0.75
 CL1 B:CHJ501 0.0 35.3 0.8
C17 B:CHJ501 1.7 28.9 0.8
C18 B:CHJ501 2.7 34.2 0.8
C16 B:CHJ501 2.7 34.9 0.8
O7N B:NAD502 3.5 30.0 1.0
CZ B:TYR267 3.6 29.4 1.0
CE2 B:PHE368 3.7 35.9 1.0
CE1 B:TYR267 3.7 26.2 1.0
CE2 B:TYR267 3.8 25.4 1.0
CD1 B:ILE369 3.9 26.2 1.0
OH B:TYR267 4.0 25.4 1.0
C19 B:CHJ501 4.0 37.1 0.8
C15 B:CHJ501 4.0 36.2 0.8
CZ B:PHE368 4.0 32.2 1.0
C4N B:NAD502 4.1 26.9 1.0
CD1 B:TYR267 4.1 20.6 1.0
CD2 B:TYR267 4.2 23.3 1.0
C7N B:NAD502 4.2 24.9 1.0
CG B:TYR267 4.3 20.0 1.0
C3N B:NAD502 4.4 25.9 1.0
C14 B:CHJ501 4.5 35.6 0.8
CE1 B:TYR277 4.6 22.3 1.0
CB B:PRO314 4.6 21.8 1.0
CA B:PRO314 4.7 22.1 1.0
CD1 B:TYR277 4.7 27.7 1.0
CD2 B:PHE368 4.8 38.2 1.0
C5N B:NAD502 4.9 23.9 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: Fri Jul 11 16:49:16 2025

Last articles

Cl in 4R4Q
Cl in 4R4O
Cl in 4R4C
Cl in 4R4I
Cl in 4R2X
Cl in 4R4K
Cl in 4R3C
Cl in 4R33
Cl in 4R23
Cl in 4R2G
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy