Atomistry » Chlorine » PDB 3b0x-3bft » 3b7j
Atomistry »
  Chlorine »
    PDB 3b0x-3bft »
      3b7j »

Chlorine in PDB 3b7j: Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone

Protein crystallography data

The structure of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone, PDB code: 3b7j was solved by L.Zhang, Y.H.Kong, D.Wu, X.Shen, H.L.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.983, 100.369, 186.236, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 22.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone (pdb code 3b7j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone, PDB code: 3b7j:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3b7j

Go back to Chlorine Binding Sites List in 3b7j
Chlorine binding site 1 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone


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 (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl160

b:32.4
occ:1.00
 N A:GLY67 3.0 12.3 1.0
O B:HOH165 3.2 14.6 1.0
O B:HOH195 3.4 22.2 1.0
CE1 A:HIS58 3.6 20.7 1.0
NE2 A:HIS58 3.6 18.1 1.0
CA A:PRO66 3.7 14.2 1.0
O B:HOH184 3.9 17.8 1.0
C A:PRO66 3.9 14.6 1.0
CA A:GLY67 4.0 12.3 1.0
CAD B:JUG163 4.1 52.6 1.0
O A:HOH162 4.2 25.7 1.0
O B:HOH232 4.3 34.8 1.0
O A:PHE65 4.4 15.0 1.0
CB A:PRO66 4.7 14.6 1.0
CAE B:JUG163 4.7 52.2 1.0
N A:PRO66 4.7 13.6 1.0
ND1 A:HIS58 4.8 18.9 1.0
CG2 A:ILE64 4.8 18.5 1.0
C A:PHE65 4.9 13.6 1.0
CD2 A:HIS58 4.9 18.2 1.0
O A:HOH168 4.9 14.5 1.0
CAH B:JUG163 5.0 52.2 1.0

Chlorine binding site 2 out of 6 in 3b7j

Go back to Chlorine Binding Sites List in 3b7j
Chlorine binding site 2 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone


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 (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl160

b:54.5
occ:1.00
 O B:HOH211 2.8 23.3 1.0
N B:GLY67 3.1 13.0 1.0
O A:HOH164 3.5 18.8 1.0
CE1 B:HIS58 3.5 12.1 1.0
NE2 B:HIS58 3.8 13.9 1.0
CA B:PRO66 3.9 12.8 1.0
CA B:GLY67 4.0 12.4 1.0
C B:PRO66 4.0 14.6 1.0
O B:HOH213 4.0 16.8 1.0
O A:HOH163 4.2 11.7 1.0
O B:PHE65 4.3 14.7 1.0
CG2 B:ILE64 4.6 16.0 1.0
CD1 A:PHE101 4.7 36.0 1.0
ND1 B:HIS58 4.8 10.9 1.0
N B:PRO66 4.8 13.7 1.0
CB B:PRO66 4.9 13.5 1.0
O B:HOH169 4.9 19.0 1.0
C B:PHE65 5.0 13.7 1.0

Chlorine binding site 3 out of 6 in 3b7j

Go back to Chlorine Binding Sites List in 3b7j
Chlorine binding site 3 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone


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 (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl160

b:29.9
occ:1.00
 O D:HOH221 3.0 27.4 1.0
O D:HOH190 3.1 15.1 1.0
N C:GLY67 3.1 14.8 1.0
CA C:GLY67 3.8 14.2 1.0
CE1 C:HIS58 3.9 14.1 1.0
CB D:PHE101 3.9 27.1 1.0
CD2 D:PHE101 4.0 28.5 1.0
NE2 C:HIS58 4.0 14.3 1.0
O D:HOH193 4.1 20.2 1.0
N D:PHE101 4.1 29.0 1.0
C C:PRO66 4.1 15.4 1.0
CA C:PRO66 4.1 14.2 1.0
O C:HOH202 4.4 15.0 1.0
CG D:PHE101 4.5 28.3 1.0
O C:PHE65 4.6 14.8 1.0
CA D:PHE101 4.7 26.4 1.0
O D:VAL99 4.9 37.4 1.0
O C:HOH165 5.0 11.7 1.0
C C:GLY67 5.0 15.3 1.0

Chlorine binding site 4 out of 6 in 3b7j

Go back to Chlorine Binding Sites List in 3b7j
Chlorine binding site 4 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone


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 (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl160

b:39.4
occ:1.00
 O D:HOH217 3.1 25.2 1.0
N D:GLY67 3.2 16.1 1.0
O D:HOH189 3.2 15.0 1.0
CE1 D:HIS58 3.6 18.6 1.0
NE2 D:HIS58 3.7 17.5 1.0
CA D:PRO66 3.9 14.3 1.0
C D:PRO66 4.1 15.6 1.0
O C:HOH164 4.1 17.3 1.0
CA D:GLY67 4.1 14.9 1.0
O D:HOH249 4.5 30.9 1.0
O D:PHE65 4.7 14.3 1.0
CB D:PRO66 4.8 14.9 1.0
ND1 D:HIS58 4.9 18.4 1.0
N D:PRO66 4.9 14.2 1.0

Chlorine binding site 5 out of 6 in 3b7j

Go back to Chlorine Binding Sites List in 3b7j
Chlorine binding site 5 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl160

b:37.8
occ:1.00
 N E:GLY67 3.1 14.7 1.0
O F:HOH165 3.3 15.2 1.0
O F:HOH196 3.6 28.1 1.0
CE1 E:HIS58 3.7 14.7 1.0
CA E:GLY67 3.9 12.7 1.0
NE2 E:HIS58 3.9 14.0 1.0
CB F:PHE101 3.9 21.9 1.0
CA E:PRO66 3.9 13.8 1.0
N F:PHE101 4.0 23.1 1.0
C E:PRO66 4.0 14.8 1.0
O F:HOH185 4.0 17.9 1.0
CD1 F:PHE101 4.2 23.5 1.0
O E:HOH207 4.4 14.3 1.0
O E:PHE65 4.5 16.0 1.0
CG F:PHE101 4.6 22.5 1.0
CA F:PHE101 4.6 22.0 1.0
CG2 E:ILE64 4.9 16.5 1.0
CB E:PRO66 4.9 14.0 1.0
CA F:TYR100 4.9 26.4 1.0
O F:VAL99 4.9 29.1 1.0
C F:TYR100 4.9 25.2 1.0
ND1 E:HIS58 4.9 15.3 1.0
N E:PRO66 4.9 14.3 1.0

Chlorine binding site 6 out of 6 in 3b7j

Go back to Chlorine Binding Sites List in 3b7j
Chlorine binding site 6 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Juglone within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl160

b:35.3
occ:1.00
 O E:HOH194 3.1 24.5 1.0
N F:GLY67 3.3 13.3 1.0
N E:PHE101 3.7 24.2 1.0
CB E:PHE101 3.8 22.2 1.0
O E:HOH170 3.8 14.5 1.0
CE1 F:HIS58 4.0 16.4 1.0
CA F:GLY67 4.0 12.8 1.0
O F:HOH182 4.1 29.6 1.0
NE2 F:HIS58 4.2 15.5 1.0
O F:HOH203 4.2 13.2 1.0
CD2 E:PHE101 4.3 20.6 1.0
C F:PRO66 4.3 14.7 1.0
CA E:PHE101 4.4 22.8 1.0
CA F:PRO66 4.4 15.1 1.0
CA E:TYR100 4.5 25.0 1.0
CG E:PHE101 4.6 21.7 1.0
O F:PHE65 4.6 17.1 1.0
C E:TYR100 4.6 25.0 1.0
O E:VAL99 4.7 28.5 1.0
CG2 F:ILE64 4.9 14.5 1.0
O F:HOH171 5.0 19.2 1.0

Reference:

Y.H.Kong, L.Zhang, Z.Y.Yang, C.Han, L.H.Hu, H.L.Jiang, X.Shen. Natural Product Juglone Targets Three Key Enzymes From Helicobacter Pylori: Inhibition Assay with Crystal Structure Characterization Acta Pharmacol.Sin. V. 29 870 2008.
ISSN: ISSN 1671-4083
PubMed: 18565285
DOI: 10.1111/J.1745-7254.2008.00808.X
Page generated: Sat Jul 20 16:24:05 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