Atomistry » Chlorine » PDB 3ccq-3ck1 » 3cf9
Atomistry »
  Chlorine »
    PDB 3ccq-3ck1 »
      3cf9 »

Chlorine in PDB 3cf9: Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin

Protein crystallography data

The structure of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin, PDB code: 3cf9 was solved by L.Zhang, D.Wu, W.Liu, X.Shen, H.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.925, 100.331, 187.166, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 20.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin (pdb code 3cf9). 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 in Complex with Apigenin, PDB code: 3cf9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3cf9

Go back to Chlorine Binding Sites List in 3cf9
Chlorine binding site 1 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin


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 in Complex with Apigenin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl160

b:45.2
occ:1.00
 N A:GLY67 3.1 14.5 1.0
O B:HOH168 3.2 19.1 1.0
CE1 A:HIS58 3.4 17.7 1.0
NE2 A:HIS58 3.6 18.5 1.0
O A:HOH180 3.6 20.8 1.0
O A:HOH219 3.6 38.0 1.0
CA A:PRO66 3.7 15.1 1.0
C A:PRO66 3.9 14.4 1.0
CA A:GLY67 4.0 14.0 1.0
OAA A:AGI161 4.5 46.8 1.0
O A:PHE65 4.5 17.0 1.0
CB A:PRO66 4.6 15.1 1.0
ND1 A:HIS58 4.7 19.0 1.0
N A:PRO66 4.7 16.4 1.0
CG2 A:ILE64 4.9 13.1 1.0
CD2 A:HIS58 4.9 19.0 1.0
CAJ A:AGI161 4.9 46.6 1.0
C A:PHE65 5.0 16.4 1.0

Chlorine binding site 2 out of 6 in 3cf9

Go back to Chlorine Binding Sites List in 3cf9
Chlorine binding site 2 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin


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 in Complex with Apigenin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl160

b:66.1
occ:1.00
 O A:HOH165 3.2 16.3 1.0
N B:GLY67 3.3 12.1 1.0
CE1 B:HIS58 3.4 12.2 1.0
NE2 B:HIS58 3.6 11.9 1.0
CA B:PRO66 3.9 12.1 1.0
O A:HOH162 3.9 10.2 1.0
C B:PRO66 4.1 12.4 1.0
CA B:GLY67 4.2 12.3 1.0
O B:PHE65 4.5 14.4 1.0
ND1 B:HIS58 4.6 11.9 1.0
CG2 B:ILE64 4.6 17.9 1.0
CB B:PRO66 4.8 11.6 1.0
N B:PRO66 4.8 13.2 1.0
CD2 B:HIS58 4.9 12.7 1.0

Chlorine binding site 3 out of 6 in 3cf9

Go back to Chlorine Binding Sites List in 3cf9
Chlorine binding site 3 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin


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 in Complex with Apigenin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl160

b:41.6
occ:1.00
 N C:GLY67 3.1 18.0 1.0
O D:HOH161 3.2 12.9 1.0
CA C:GLY67 3.9 17.0 1.0
CE1 C:HIS58 3.9 19.2 1.0
CB D:PHE101 4.0 30.0 1.0
CA C:PRO66 4.0 17.8 1.0
C C:PRO66 4.1 18.2 1.0
CD2 D:PHE101 4.1 29.1 1.0
NE2 C:HIS58 4.1 20.2 1.0
O D:HOH162 4.1 23.4 1.0
O C:HOH212 4.4 18.4 1.0
N D:PHE101 4.5 31.6 1.0
CG D:PHE101 4.6 29.8 1.0
O C:PHE65 4.6 18.3 1.0
CA D:PHE101 4.9 30.1 1.0
CB C:PRO66 4.9 17.6 1.0
CG2 C:ILE64 5.0 17.7 1.0

Chlorine binding site 4 out of 6 in 3cf9

Go back to Chlorine Binding Sites List in 3cf9
Chlorine binding site 4 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin


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 in Complex with Apigenin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl160

b:57.5
occ:1.00
 N D:GLY67 3.0 14.4 1.0
O C:HOH163 3.1 8.0 1.0
CE1 D:HIS58 3.8 17.9 1.0
CA D:GLY67 3.8 13.3 1.0
CA D:PRO66 3.9 14.9 1.0
C D:PRO66 3.9 15.2 1.0
O C:HOH164 4.0 17.1 1.0
NE2 D:HIS58 4.0 17.4 1.0
O D:PHE65 4.6 17.4 1.0
CB D:PRO66 4.7 15.2 1.0
N D:PRO66 4.9 15.4 1.0
ND1 D:HIS58 5.0 18.2 1.0
N D:VAL68 5.0 13.8 1.0
C D:GLY67 5.0 14.4 1.0

Chlorine binding site 5 out of 6 in 3cf9

Go back to Chlorine Binding Sites List in 3cf9
Chlorine binding site 5 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin


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 in Complex with Apigenin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl160

b:37.5
occ:1.00
 N E:GLY67 3.5 16.1 1.0
O F:HOH161 3.5 22.4 1.0
CE1 E:HIS58 3.7 15.5 1.0
NE2 E:HIS58 3.9 15.8 1.0
N F:PHE101 3.9 29.2 1.0
CB F:PHE101 3.9 28.8 1.0
O F:HOH166 4.0 22.3 1.0
CD1 F:PHE101 4.2 28.8 1.0
CA E:PRO66 4.2 15.1 1.0
CA E:GLY67 4.2 15.9 1.0
C E:PRO66 4.3 15.5 1.0
O E:HOH196 4.5 19.5 1.0
CG F:PHE101 4.6 29.7 1.0
CA F:PHE101 4.6 28.5 1.0
O F:VAL99 4.6 33.2 1.0
CG2 E:ILE64 4.8 19.9 1.0
CA F:TYR100 4.8 31.8 1.0
O E:PHE65 4.8 17.1 1.0
C F:TYR100 4.9 30.7 1.0
O E:HOH162 4.9 7.6 1.0
ND1 E:HIS58 5.0 17.6 1.0

Chlorine binding site 6 out of 6 in 3cf9

Go back to Chlorine Binding Sites List in 3cf9
Chlorine binding site 6 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz) From Helicobacter Pylori in Complex with Apigenin


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 in Complex with Apigenin within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl160

b:37.2
occ:1.00
 O E:HOH207 3.2 30.9 1.0
N F:GLY67 3.3 16.4 1.0
O E:HOH165 3.4 16.2 1.0
CE1 F:HIS58 3.7 19.1 1.0
NE2 F:HIS58 3.9 19.5 1.0
O F:HOH171 4.0 21.9 1.0
N E:PHE101 4.0 24.4 1.0
CA F:GLY67 4.0 16.1 1.0
CB E:PHE101 4.1 24.0 1.0
CA F:PRO66 4.2 16.4 1.0
CD2 E:PHE101 4.2 22.9 1.0
C F:PRO66 4.2 16.9 1.0
O E:HOH193 4.3 21.8 1.0
O F:PHE65 4.6 17.4 1.0
CG E:PHE101 4.7 23.7 1.0
CA E:PHE101 4.7 22.8 1.0
CG2 F:ILE64 4.8 17.2 1.0
CA E:TYR100 4.8 26.4 1.0
C E:TYR100 4.9 25.5 1.0
O E:VAL99 5.0 29.8 1.0
ND1 F:HIS58 5.0 18.7 1.0
O F:HOH173 5.0 13.2 1.0

Reference:

L.Zhang, Y.Kong, D.Wu, H.Zhang, J.Wu, J.Chen, J.Ding, L.Hu, H.Jiang, X.Shen. Three Flavonoids Targeting the Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase From Helicobacter Pylori: Crystal Structure Characterization with Enzymatic Inhibition Assay Protein Sci. V. 17 1971 2008.
ISSN: ISSN 0961-8368
PubMed: 18780820
DOI: 10.1110/PS.036186.108
Page generated: Sat Jul 20 17:28:18 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