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Chlorine in PDB 1nhw: Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase

Enzymatic activity of Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase

All present enzymatic activity of Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase:
1.3.1.9;

Protein crystallography data

The structure of Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase, PDB code: 1nhw was solved by R.Perozzo, M.Kuo, A.S.Sidhu, J.T.Valiyaveettil, R.Bittman, W.R.Jacobs Jr., D.A.Fidock, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.35
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 133.365, 133.365, 83.862, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase (pdb code 1nhw). 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 Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase, PDB code: 1nhw:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1nhw

Go back to Chlorine Binding Sites List in 1nhw
Chlorine binding site 1 out of 4 in the Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein 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 Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:76.5
occ:1.00
 CL2 A:TCC600 0.0 76.5 1.0
C11 A:TCC600 1.8 77.8 1.0
C12 A:TCC600 2.8 78.0 1.0
C10 A:TCC600 2.8 77.9 1.0
N A:ALA219 3.2 37.1 1.0
O A:ALA219 3.7 37.6 1.0
CA A:ASN218 3.8 37.6 1.0
C A:ASN218 3.9 37.3 1.0
CG1 A:VAL222 3.9 35.6 1.0
CA A:ALA219 4.0 37.4 1.0
C7 A:TCC600 4.1 78.0 1.0
CB A:ALA219 4.1 36.0 1.0
CB A:VAL222 4.1 36.4 1.0
C9 A:TCC600 4.1 77.9 1.0
C A:ALA219 4.3 38.1 1.0
CG2 A:VAL222 4.5 34.4 1.0
O A:ALA217 4.6 35.6 1.0
N A:ASN218 4.6 36.3 1.0
OD1 A:ASN218 4.6 42.7 1.0
C8 A:TCC600 4.7 78.1 1.0
CG A:ASN218 4.7 41.1 1.0
CB A:ASN218 4.9 39.8 1.0
C A:ALA217 4.9 34.5 1.0
O A:ASN218 5.0 38.7 1.0

Chlorine binding site 2 out of 4 in 1nhw

Go back to Chlorine Binding Sites List in 1nhw
Chlorine binding site 2 out of 4 in the Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein 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 Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:75.4
occ:1.00
 CL1 A:TCC600 0.0 75.4 1.0
C9 A:TCC600 1.8 77.9 1.0
C10 A:TCC600 2.8 77.9 1.0
C8 A:TCC600 2.8 78.1 1.0
N1 A:TCC600 3.1 78.0 1.0
CB A:ALA319 3.4 76.8 1.0
O5D A:NAD450 3.4 57.9 1.0
CB A:ALA217 3.5 29.2 1.0
O A:ALA217 3.6 35.6 1.0
C5B A:NAD450 3.8 59.5 1.0
O3 A:NAD450 3.8 59.9 1.0
C3D A:NAD450 3.8 54.9 1.0
O2N A:NAD450 3.9 57.6 1.0
C2D A:NAD450 4.0 54.7 1.0
C11 A:TCC600 4.1 77.8 1.0
PN A:NAD450 4.1 56.7 1.0
C A:ALA217 4.2 34.5 1.0
C7 A:TCC600 4.2 78.0 1.0
CA A:ALA217 4.2 31.8 1.0
N A:ALA217 4.2 30.8 1.0
O5B A:NAD450 4.3 61.3 1.0
C5D A:NAD450 4.4 56.4 1.0
O2A A:NAD450 4.4 59.6 1.0
O2D A:NAD450 4.4 55.8 1.0
C4 A:TCC600 4.5 78.0 1.0
PA A:NAD450 4.6 60.9 1.0
C12 A:TCC600 4.7 78.0 1.0
C4D A:NAD450 4.7 55.7 1.0
O3D A:NAD450 4.8 53.3 1.0
CA A:ALA319 4.8 77.4 1.0

Chlorine binding site 3 out of 4 in 1nhw

Go back to Chlorine Binding Sites List in 1nhw
Chlorine binding site 3 out of 4 in the Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein 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 Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl700

b:54.6
occ:1.00
 CL2 B:TCC700 0.0 54.6 1.0
C11 B:TCC700 1.7 55.0 1.0
C12 B:TCC700 2.7 55.9 1.0
C10 B:TCC700 2.8 55.9 1.0
N B:ALA219 2.9 24.2 1.0
O B:ALA219 3.4 24.6 1.0
C B:ASN218 3.6 24.4 1.0
CA B:ASN218 3.6 24.5 1.0
CB B:ALA219 3.7 18.8 1.0
CA B:ALA219 3.7 23.2 1.0
OD1 B:ASN218 3.7 32.0 1.0
C B:ALA219 3.9 24.6 1.0
C7 B:TCC700 4.1 55.5 1.0
CB B:VAL222 4.1 27.3 1.0
C9 B:TCC700 4.1 55.5 1.0
CG1 B:VAL222 4.3 28.8 1.0
N B:ASN218 4.4 22.6 1.0
CG2 B:VAL222 4.4 26.3 1.0
CG B:ASN218 4.6 30.6 1.0
O B:ASN218 4.6 26.2 1.0
C8 B:TCC700 4.6 55.9 1.0
O B:ALA217 4.7 19.9 1.0
CB B:ASN218 4.7 26.6 1.0
SD B:MET281 4.8 23.1 1.0
CG B:MET281 4.8 20.8 1.0
C B:ALA217 4.8 21.1 1.0

Chlorine binding site 4 out of 4 in 1nhw

Go back to Chlorine Binding Sites List in 1nhw
Chlorine binding site 4 out of 4 in the Crystal Structure Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein 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 Analysis of Plasmodium Falciparum Enoyl- Acyl-Carrier-Protein Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl700

b:52.1
occ:1.00
 CL1 B:TCC700 0.0 52.1 1.0
C9 B:TCC700 1.8 55.5 1.0
C10 B:TCC700 2.8 55.9 1.0
C8 B:TCC700 2.8 55.9 1.0
N1 B:TCC700 3.0 56.0 1.0
CB B:ALA319 3.4 39.9 1.0
CB B:ALA217 3.5 17.5 1.0
O5D B:NAD550 3.5 24.6 1.0
O B:ALA217 3.5 19.9 1.0
C3D B:NAD550 3.8 25.9 1.0
C5B B:NAD550 3.8 29.4 1.0
O3 B:NAD550 3.9 31.3 1.0
C2D B:NAD550 4.0 24.5 1.0
C B:ALA217 4.1 21.1 1.0
N B:ALA217 4.1 19.4 1.0
CA B:ALA217 4.1 20.1 1.0
C11 B:TCC700 4.1 55.0 1.0
C7 B:TCC700 4.2 55.5 1.0
O2N B:NAD550 4.3 27.5 1.0
PN B:NAD550 4.3 28.5 1.0
O5B B:NAD550 4.4 31.5 1.0
C5D B:NAD550 4.4 23.7 1.0
O2A B:NAD550 4.4 29.8 1.0
O2D B:NAD550 4.4 26.3 1.0
C4 B:TCC700 4.5 57.0 1.0
PA B:NAD550 4.6 28.3 1.0
C12 B:TCC700 4.7 55.9 1.0
C4D B:NAD550 4.7 25.5 1.0
O3D B:NAD550 4.7 22.4 1.0
CA B:ALA319 4.8 41.1 1.0
C B:LEU216 4.9 18.8 1.0

Reference:

R.Perozzo, M.Kuo, A.S.Sidhu, J.T.Valiyaveettil, R.Bittman, W.R.Jacobs Jr., D.A.Fidock, J.C.Sacchettini. Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan For Malarial Enoyl Acyl Carrier Protein Reductase Year J.Biol.Chem. V. 277 13106 2002.
ISSN: ISSN 0021-9258
PubMed: 11792710
DOI: 10.1074/JBC.M112000200
Page generated: Sat Jul 20 00:30:47 2024

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