Atomistry » Chlorine » PDB 2ol1-2ou3 » 2ol4
Atomistry »
  Chlorine »
    PDB 2ol1-2ou3 »
      2ol4 »

Chlorine in PDB 2ol4: Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase

Enzymatic activity of Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase

All present enzymatic activity of Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase:
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase, PDB code: 2ol4 was solved by H.Tsai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.00 / 2.26
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 131.445, 131.445, 82.868, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 24

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase (pdb code 2ol4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase, PDB code: 2ol4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2ol4

Go back to Chlorine Binding Sites List in 2ol4
Chlorine binding site 1 out of 4 in the Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase


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 Enoyl Acp Reductase with Triclosan Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl700

b:42.6
occ:0.50
CL24 A:JPN700 0.0 42.6 0.5
C18 A:JPN700 1.8 39.7 0.5
C19 A:JPN700 2.8 41.9 0.5
C17 A:JPN700 2.8 37.1 0.5
O16 A:JPN700 3.1 35.7 0.5
O5D A:NAD450 3.3 38.8 0.5
O A:ALA217 3.6 44.1 1.0
C5B A:NAD450 3.6 43.1 0.5
C3D A:NAD450 3.7 34.8 0.5
CB A:ALA217 3.7 40.8 1.0
C2D A:NAD450 3.8 30.0 0.5
O3 A:NAD450 3.9 45.4 0.5
N A:ALA217 4.0 36.9 1.0
C20 A:JPN700 4.1 39.0 0.5
C22 A:JPN700 4.1 35.3 0.5
PN A:NAD450 4.1 39.6 0.5
O5B A:NAD450 4.2 44.9 0.5
C A:ALA217 4.2 45.7 1.0
CA A:ALA217 4.2 42.7 1.0
O2D A:NAD450 4.3 30.9 0.5
O2N A:NAD450 4.3 37.8 0.5
C5D A:NAD450 4.4 35.2 0.5
C13 A:JPN700 4.4 34.5 0.5
C21 A:JPN700 4.6 35.5 0.5
C4D A:NAD450 4.6 34.5 0.5
PA A:NAD450 4.7 47.8 0.5
O3D A:NAD450 4.7 26.0 0.5
O1A A:NAD450 4.9 48.3 0.5
C4B A:NAD450 4.9 42.0 0.5

Chlorine binding site 2 out of 4 in 2ol4

Go back to Chlorine Binding Sites List in 2ol4
Chlorine binding site 2 out of 4 in the Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase


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 Enoyl Acp Reductase with Triclosan Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl700

b:45.5
occ:0.50
CL25 A:JPN700 0.0 45.5 0.5
C20 A:JPN700 1.8 39.0 0.5
C19 A:JPN700 2.8 41.9 0.5
C21 A:JPN700 2.8 35.5 0.5
N A:ALA219 3.1 47.6 1.0
O A:ALA219 3.6 46.7 1.0
CB A:VAL222 3.8 45.2 1.0
CA A:ASN218 3.8 43.5 1.0
C A:ASN218 3.8 44.1 1.0
CG1 A:VAL222 3.9 44.7 1.0
CA A:ALA219 3.9 48.5 1.0
CB A:ALA219 3.9 36.4 1.0
OD1 A:ASN218 4.0 52.6 1.0
CG2 A:VAL222 4.0 38.4 1.0
C18 A:JPN700 4.1 39.7 0.5
C22 A:JPN700 4.1 35.3 0.5
C A:ALA219 4.2 46.5 1.0
CG A:MET281 4.4 30.5 1.0
N A:ASN218 4.5 46.4 1.0
O A:ALA217 4.6 44.1 1.0
C17 A:JPN700 4.6 37.1 0.5
SD A:MET281 4.6 38.0 1.0
C A:ALA217 4.7 45.7 1.0
CG A:ASN218 4.9 55.9 1.0
O A:ASN218 4.9 44.3 1.0
CB A:ASN218 5.0 47.2 1.0

Chlorine binding site 3 out of 4 in 2ol4

Go back to Chlorine Binding Sites List in 2ol4
Chlorine binding site 3 out of 4 in the Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl701

b:56.7
occ:0.80
CL24 B:JPN701 0.0 56.7 0.8
C18 B:JPN701 1.8 46.3 0.8
CB B:ALA319 2.7 42.6 1.0
C19 B:JPN701 2.8 44.9 0.8
C17 B:JPN701 2.8 41.8 0.8
O16 B:JPN701 3.1 40.0 0.8
O5D B:NAD451 3.4 39.4 1.0
C5B B:NAD451 3.7 42.8 1.0
O3 B:NAD451 3.7 46.5 1.0
O B:ALA217 3.8 35.0 1.0
CB B:ALA217 3.8 31.4 1.0
C3D B:NAD451 3.9 34.6 1.0
C2D B:NAD451 3.9 36.3 1.0
C20 B:JPN701 4.1 42.6 0.8
C22 B:JPN701 4.1 40.6 0.8
PN B:NAD451 4.2 35.3 1.0
CA B:ALA319 4.2 54.3 1.0
N B:ALA217 4.2 28.8 1.0
O5B B:NAD451 4.3 45.0 1.0
C B:ALA217 4.3 36.9 1.0
O2D B:NAD451 4.3 29.9 1.0
C13 B:JPN701 4.4 36.0 0.8
CA B:ALA217 4.4 32.9 1.0
C5D B:NAD451 4.4 33.9 1.0
O2N B:NAD451 4.5 37.4 1.0
PA B:NAD451 4.5 41.7 1.0
O1A B:NAD451 4.6 45.9 1.0
C21 B:JPN701 4.6 48.9 0.8
C4D B:NAD451 4.7 34.0 1.0
O3D B:NAD451 4.9 30.0 1.0
C B:ALA319 4.9 54.5 1.0
C14 B:JPN701 5.0 38.8 0.8
C B:LEU216 5.0 33.8 1.0

Chlorine binding site 4 out of 4 in 2ol4

Go back to Chlorine Binding Sites List in 2ol4
Chlorine binding site 4 out of 4 in the Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Plasmodium Falciparum Enoyl Acp Reductase with Triclosan Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl701

b:55.2
occ:0.80
CL25 B:JPN701 0.0 55.2 0.8
C20 B:JPN701 1.8 42.6 0.8
C19 B:JPN701 2.7 44.9 0.8
C21 B:JPN701 2.8 48.9 0.8
N B:ALA219 3.2 35.0 1.0
O B:ALA219 3.6 35.8 1.0
CA B:ASN218 3.8 37.5 1.0
CB B:VAL222 3.9 36.8 1.0
C B:ASN218 3.9 34.2 1.0
CB B:ALA219 3.9 28.0 1.0
CG1 B:VAL222 4.0 42.3 1.0
CA B:ALA219 4.0 35.3 1.0
OD1 B:ASN218 4.0 48.7 1.0
C18 B:JPN701 4.0 46.3 0.8
C22 B:JPN701 4.1 40.6 0.8
CG2 B:VAL222 4.2 35.9 1.0
C B:ALA219 4.2 31.7 1.0
CG B:MET281 4.5 32.4 1.0
N B:ASN218 4.5 35.7 1.0
C17 B:JPN701 4.6 41.8 0.8
SD B:MET281 4.7 30.5 1.0
O B:ASN218 4.9 33.0 1.0
O B:ALA217 4.9 35.0 1.0
CG B:ASN218 4.9 47.3 1.0
C B:ALA217 5.0 36.9 1.0
CB B:ASN218 5.0 37.8 1.0

Reference:

J.S.Freundlich, F.Wang, H.-C.Tsai, M.Kuo, H.-M.Shieh, J.W.Anderson, L.J.Nkrumah, J.-C.Valderramos, M.Yu, T.R.S.Kumar, S.G.Valderramos, W.R.Jacobs, G.A.Schiehser, D.P.Jacobus, D.A.Fidock, J.C.Sacchettini. X-Ray Structural Analysis of Plasmodium Falciparum Enoyl Acyl Carrier Protein Reductase As A Pathway Toward the Optimization of Triclosan Antimalarial Efficacy J.Biol.Chem. V. 282 25436 2007.
ISSN: ISSN 0021-9258
PubMed: 17567585
DOI: 10.1074/JBC.M701813200
Page generated: Sat Dec 12 09:13:31 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy