Atomistry » Chlorine » PDB 3avi-3b0n » 3aza
Atomistry »
  Chlorine »
    PDB 3avi-3b0n »
      3aza »

Chlorine in PDB 3aza: Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10

Protein crystallography data

The structure of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10, PDB code: 3aza was solved by K.Maity, B.S.Venkata, N.Kapoor, N.Surolia, A.Surolia, K.Suguna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.91 / 2.70
Space group I 41 1
Cell size a, b, c (Å), α, β, γ (°) 219.210, 219.210, 156.630, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 27.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 (pdb code 3aza). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10, PDB code: 3aza:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3aza

Go back to Chlorine Binding Sites List in 3aza
Chlorine binding site 1 out of 8 in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2

b:54.8
occ:0.70
 CL19 B:KM02 0.0 54.8 0.7
C12 B:KM02 1.8 53.5 0.8
C13 B:KM02 2.8 50.4 0.8
C11 B:KM02 2.8 52.8 1.0
CB B:PHE169 3.0 59.2 1.0
C18 B:KM02 3.0 51.2 0.8
CA B:GLY154 3.9 44.7 1.0
C14 B:KM02 4.1 48.0 1.0
C10 B:KM02 4.1 49.8 1.0
CA B:PHE169 4.1 59.4 1.0
C B:PHE169 4.4 58.9 1.0
C17 B:KM02 4.4 47.4 1.0
N B:PHE169 4.5 59.9 1.0
O B:PHE169 4.6 59.4 1.0
C9 B:KM02 4.6 47.6 1.0
O B:ALA150 4.6 38.3 1.0
CD1 B:PHE226 4.7 49.9 1.0
N B:GLY154 4.7 44.4 1.0
CE1 B:PHE226 4.7 48.0 1.0
CE1 B:HIS98 4.8 36.7 1.0
C B:GLY154 4.8 45.6 1.0
CG B:PHE226 4.9 49.4 1.0
N B:LEU170 4.9 58.0 1.0
O B:GLY154 5.0 45.8 1.0
CZ B:PHE226 5.0 45.8 1.0

Chlorine binding site 2 out of 8 in 3aza

Go back to Chlorine Binding Sites List in 3aza
Chlorine binding site 2 out of 8 in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl3

b:60.0
occ:1.00
 CL19 C:KM03 0.0 60.0 1.0
C12 C:KM03 1.8 57.4 1.0
C13 C:KM03 2.8 55.6 1.0
C11 C:KM03 2.8 58.4 1.0
C18 C:KM03 3.1 55.4 1.0
CB C:PHE169 3.3 59.5 1.0
CA C:GLY154 3.7 44.6 1.0
O C:ALA150 4.0 37.9 1.0
CG C:PHE169 4.1 61.2 1.0
C14 C:KM03 4.1 55.3 1.0
C10 C:KM03 4.1 57.1 1.0
CD1 C:PHE169 4.2 61.0 1.0
CE1 C:PHE226 4.2 47.2 1.0
CD1 C:PHE226 4.4 45.6 1.0
N C:GLY154 4.4 43.7 1.0
CZ C:PHE226 4.4 45.5 1.0
C17 C:KM03 4.5 55.8 1.0
CA C:PHE169 4.5 59.7 1.0
C9 C:KM03 4.6 57.1 1.0
C C:PHE169 4.6 58.8 1.0
CG C:PHE226 4.8 45.6 1.0
O C:PHE169 4.8 58.8 1.0
C C:GLY154 4.8 45.3 1.0
CE2 C:PHE226 4.8 44.5 1.0
CE1 C:HIS98 4.9 36.6 1.0
CD2 C:PHE226 4.9 45.8 1.0
CD2 C:LEU96 5.0 38.1 1.0

Chlorine binding site 3 out of 8 in 3aza

Go back to Chlorine Binding Sites List in 3aza
Chlorine binding site 3 out of 8 in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1

b:59.8
occ:1.00
 CL19 D:KM01 0.0 59.8 1.0
C12 D:KM01 1.8 58.1 1.0
C13 D:KM01 2.8 55.9 1.0
C11 D:KM01 2.8 59.5 1.0
C18 D:KM01 3.0 58.2 1.0
CB D:PHE169 3.4 61.3 1.0
CA D:GLY154 3.6 44.8 1.0
CE1 D:PHE226 4.0 31.5 1.0
C14 D:KM01 4.1 54.2 1.0
C10 D:KM01 4.1 55.9 1.0
CD1 D:PHE226 4.2 34.2 1.0
O D:ALA150 4.3 38.1 1.0
CG D:PHE169 4.3 63.3 1.0
C17 D:KM01 4.4 56.4 1.0
CA D:PHE169 4.4 60.6 1.0
N D:GLY154 4.5 44.2 1.0
C D:GLY154 4.5 45.4 1.0
C9 D:KM01 4.6 53.4 1.0
O D:PHE169 4.6 59.2 1.0
CD2 D:LEU96 4.6 38.3 1.0
CE1 D:HIS98 4.6 36.6 1.0
C D:PHE169 4.6 59.5 1.0
N D:PHE169 4.7 61.1 1.0
O D:GLY154 4.8 45.6 1.0
CD2 D:PHE169 4.8 65.5 1.0

Chlorine binding site 4 out of 8 in 3aza

Go back to Chlorine Binding Sites List in 3aza
Chlorine binding site 4 out of 8 in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl4

b:53.8
occ:1.00
 CL19 M:KM04 0.0 53.8 1.0
C12 M:KM04 1.8 49.9 1.0
C13 M:KM04 2.8 49.6 1.0
C11 M:KM04 2.8 51.5 1.0
C18 M:KM04 3.0 50.2 1.0
CB M:PHE169 3.3 60.0 1.0
CA M:GLY154 3.6 45.4 1.0
C14 M:KM04 4.1 50.5 1.0
C10 M:KM04 4.1 52.2 1.0
CG M:PHE169 4.2 61.3 1.0
CA M:PHE169 4.3 59.8 1.0
CD2 M:LEU96 4.4 39.9 1.0
C17 M:KM04 4.4 52.6 1.0
CE1 M:HIS98 4.5 34.6 1.0
N M:GLY154 4.5 44.8 1.0
N M:PHE169 4.6 60.1 1.0
C M:GLY154 4.6 46.0 1.0
O M:PHE169 4.6 58.9 1.0
CZ M:PHE226 4.6 55.4 1.0
C M:PHE169 4.6 58.9 1.0
C9 M:KM04 4.6 50.7 1.0
O M:ALA150 4.6 39.1 1.0
CE2 M:PHE226 4.7 54.7 1.0
CD2 M:PHE169 4.8 62.2 1.0
CE1 M:PHE226 4.8 55.6 1.0
O M:GLY154 4.9 46.0 1.0
O M:ASN167 4.9 62.1 1.0
O M:GLN151 5.0 40.2 1.0
CD1 M:PHE169 5.0 61.7 1.0

Chlorine binding site 5 out of 8 in 3aza

Go back to Chlorine Binding Sites List in 3aza
Chlorine binding site 5 out of 8 in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl5

b:50.4
occ:1.00
 CL19 O:KM05 0.0 50.4 1.0
C12 O:KM05 1.8 49.5 1.0
C13 O:KM05 2.7 49.7 1.0
C11 O:KM05 2.8 48.4 1.0
CB O:PHE169 2.9 59.9 1.0
C18 O:KM05 2.9 50.3 1.0
CG O:PHE169 3.8 61.2 1.0
CA O:GLY154 3.8 45.2 1.0
C14 O:KM05 4.0 47.4 1.0
CA O:PHE169 4.0 59.8 1.0
C10 O:KM05 4.1 47.0 1.0
C O:PHE169 4.2 59.0 1.0
CD1 O:PHE169 4.2 62.0 1.0
O O:PHE169 4.2 59.2 1.0
C17 O:KM05 4.3 50.3 1.0
O O:ALA150 4.4 39.0 1.0
N O:PHE169 4.5 60.3 1.0
N O:GLY154 4.5 44.9 1.0
C9 O:KM05 4.6 45.0 1.0
CD2 O:PHE169 4.7 62.2 1.0
CD1 O:PHE226 4.8 48.5 1.0
CE1 O:PHE226 4.8 47.5 1.0
C O:GLY154 4.8 45.9 1.0
N O:LEU170 5.0 57.7 1.0
CE1 O:HIS98 5.0 34.9 1.0

Chlorine binding site 6 out of 8 in 3aza

Go back to Chlorine Binding Sites List in 3aza
Chlorine binding site 6 out of 8 in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cl6

b:53.6
occ:1.00
 CL19 P:KM06 0.0 53.6 1.0
C12 P:KM06 1.8 56.5 1.0
C13 P:KM06 2.8 57.4 1.0
C11 P:KM06 2.8 55.7 1.0
C18 P:KM06 3.0 58.7 1.0
CB P:PHE169 3.2 59.9 1.0
CE1 P:PHE226 3.6 50.0 1.0
CA P:GLY154 3.7 45.5 1.0
CD1 P:PHE226 3.9 49.6 1.0
CG P:PHE169 4.1 61.2 1.0
C14 P:KM06 4.1 53.8 1.0
C10 P:KM06 4.1 56.0 1.0
CA P:PHE169 4.2 59.7 1.0
C17 P:KM06 4.4 58.0 1.0
O P:PHE169 4.5 59.1 1.0
C P:PHE169 4.5 59.0 1.0
N P:PHE169 4.5 60.3 1.0
CE1 P:HIS98 4.5 34.7 1.0
CD2 P:LEU96 4.6 40.1 1.0
N P:GLY154 4.6 44.9 1.0
CZ P:PHE226 4.6 46.9 1.0
C9 P:KM06 4.6 54.3 1.0
O P:ALA150 4.6 39.4 1.0
CD2 P:PHE169 4.7 62.2 1.0
C P:GLY154 4.7 46.0 1.0
CD1 P:PHE169 4.8 61.9 1.0
O P:ASN167 4.9 62.2 1.0

Chlorine binding site 7 out of 8 in 3aza

Go back to Chlorine Binding Sites List in 3aza
Chlorine binding site 7 out of 8 in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Cl7

b:55.6
occ:1.00
 CL19 Q:KM07 0.0 55.6 1.0
C12 Q:KM07 1.8 54.2 1.0
C13 Q:KM07 2.8 52.8 1.0
C11 Q:KM07 2.8 53.0 1.0
CB Q:PHE169 2.8 59.9 1.0
C18 Q:KM07 3.0 53.0 1.0
CA Q:GLY154 3.8 45.5 1.0
CG Q:PHE169 3.8 61.2 1.0
CA Q:PHE169 3.9 59.7 1.0
C10 Q:KM07 4.1 51.3 1.0
C14 Q:KM07 4.1 52.8 1.0
C Q:PHE169 4.1 59.1 1.0
O Q:PHE169 4.1 59.2 1.0
N Q:PHE169 4.2 60.4 1.0
C17 Q:KM07 4.4 55.4 1.0
CD2 Q:PHE169 4.5 62.2 1.0
CD1 Q:PHE169 4.5 62.0 1.0
C9 Q:KM07 4.6 51.1 1.0
O Q:ALA150 4.6 39.0 1.0
N Q:GLY154 4.7 44.8 1.0
CE1 Q:HIS98 4.8 35.0 1.0
C Q:GLY154 4.8 46.0 1.0
O Q:ASN167 4.8 62.3 1.0
CD2 Q:LEU96 4.8 39.7 1.0
N Q:LEU170 4.9 57.8 1.0

Chlorine binding site 8 out of 8 in 3aza

Go back to Chlorine Binding Sites List in 3aza
Chlorine binding site 8 out of 8 in the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Plasmodium Falciparum in Complex with NAS91-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl8

b:53.3
occ:1.00
 CL19 U:KM08 0.0 53.3 1.0
C12 U:KM08 1.8 57.7 1.0
C13 U:KM08 2.8 57.0 1.0
C11 U:KM08 2.8 56.5 1.0
C18 U:KM08 3.0 57.4 1.0
CB U:PHE169 3.3 60.4 1.0
CA U:GLY154 3.4 45.6 1.0
C14 U:KM08 4.1 56.3 1.0
C10 U:KM08 4.1 57.1 1.0
CD2 U:LEU96 4.2 39.6 1.0
CG U:PHE169 4.2 61.6 1.0
C U:GLY154 4.3 46.0 1.0
O U:PHE169 4.3 59.4 1.0
CA U:PHE169 4.4 60.2 1.0
N U:GLY154 4.4 45.2 1.0
C17 U:KM08 4.4 59.5 1.0
N U:PHE169 4.6 60.8 1.0
CE1 U:HIS98 4.6 39.8 1.0
O U:GLY154 4.6 45.9 1.0
C9 U:KM08 4.6 56.4 1.0
C U:PHE169 4.7 59.5 1.0
CD2 U:PHE169 4.7 62.7 1.0
O U:ALA150 4.8 40.3 1.0
O U:ASN167 4.9 62.3 1.0
O U:GLN151 4.9 42.1 1.0

Reference:

K.Maity, B.S.Venkata, N.Kapoor, N.Surolia, A.Surolia, K.Suguna. Structural Basis For the Functional and Inhibitory Mechanisms of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) of Plasmodium Falciparum J.Struct.Biol. V. 176 238 2011.
ISSN: ISSN 1047-8477
PubMed: 21843645
DOI: 10.1016/J.JSB.2011.07.018
Page generated: Fri Jul 11 03:16:23 2025

Last articles

Mg in 5F8H
Mg in 5F7U
Mg in 5F2V
Mg in 5F6C
Mg in 5F5R
Mg in 5F49
Mg in 5F5N
Mg in 5F4O
Mg in 5F3W
Mg in 5F48
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy