Atomistry » Chlorine » PDB 2g7z-2glv » 2glm
Atomistry »
  Chlorine »
    PDB 2g7z-2glv »
      2glm »

Chlorine in PDB 2glm: Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2

Protein crystallography data

The structure of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2, PDB code: 2glm was solved by L.Zhang, 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 (°) 74.052, 100.534, 186.142, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 24.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2 (pdb code 2glm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2, PDB code: 2glm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 2glm

Go back to Chlorine Binding Sites List in 2glm
Chlorine binding site 1 out of 7 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2


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 Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:22.2
occ:1.00
 N A:GLY67 2.9 9.7 1.0
O A:HOH3102 3.0 7.8 1.0
O A:HOH3007 3.1 11.2 1.0
C3 A:SCB3001 3.5 50.5 1.0
C1 A:SCB3001 3.6 47.5 1.0
O A:HOH3046 3.6 18.9 1.0
CA A:PRO66 3.7 11.1 1.0
CA A:GLY67 3.8 9.6 1.0
C A:PRO66 3.8 10.6 1.0
O1 A:SCB3001 3.9 50.7 1.0
CE1 A:HIS58 3.9 13.1 1.0
C2 A:SCB3001 3.9 50.0 1.0
NE2 A:HIS58 4.0 10.4 1.0
O B:HOH2003 4.1 16.8 1.0
O B:HOH2088 4.3 10.6 1.0
O A:PHE65 4.4 10.6 1.0
CB A:PRO66 4.7 11.0 1.0
O A:HOH3006 4.7 8.2 1.0
N A:PRO66 4.7 11.4 1.0
N1 A:SCB3001 4.8 51.5 1.0
CG2 A:ILE64 4.9 8.1 1.0
C A:PHE65 4.9 10.2 1.0
C A:GLY67 5.0 9.2 1.0
O A:PRO66 5.0 11.7 1.0

Chlorine binding site 2 out of 7 in 2glm

Go back to Chlorine Binding Sites List in 2glm
Chlorine binding site 2 out of 7 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2


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 Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3001

b:50.3
occ:1.00
 CL1 A:SCB3001 0.0 50.3 1.0
C14 A:SCB3001 1.7 50.0 1.0
O5 A:SCB3001 2.3 48.3 1.0
C15 A:SCB3001 2.7 49.5 1.0
C13 A:SCB3001 2.7 49.2 1.0
C17 A:SCB3001 2.9 49.0 1.0
O A:PRO60 3.6 17.9 1.0
CB A:ASN61 3.6 23.9 1.0
C16 A:SCB3001 4.0 47.8 1.0
C12 A:SCB3001 4.0 49.0 1.0
ND2 A:ASN61 4.0 27.6 1.0
O4 A:SCB3001 4.2 50.7 1.0
CG A:ASN61 4.4 26.8 1.0
O A:ASN61 4.4 25.4 1.0
C11 A:SCB3001 4.5 48.8 1.0
C A:PRO60 4.7 18.6 1.0
CA A:ASN61 4.7 22.2 1.0
O A:HOH3065 4.7 16.8 1.0
C A:ASN61 4.7 23.4 1.0

Chlorine binding site 3 out of 7 in 2glm

Go back to Chlorine Binding Sites List in 2glm
Chlorine binding site 3 out of 7 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2


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 Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1002

b:38.4
occ:1.00
 O A:HOH3009 2.9 1.6 1.0
N B:GLY67 3.0 12.3 1.0
O A:HOH3047 3.0 12.2 1.0
CE1 B:HIS58 3.7 4.2 1.0
CA B:PRO66 3.8 12.0 1.0
C B:PRO66 3.8 12.0 1.0
CA B:GLY67 3.8 11.8 1.0
NE2 B:HIS58 3.9 4.8 1.0
O A:HOH3014 4.0 12.6 1.0
O B:HOH2051 4.0 13.6 1.0
O B:PHE65 4.5 10.3 1.0
CB B:PRO66 4.7 12.1 1.0
O A:HOH3095 4.8 38.4 1.0
N B:PRO66 4.8 11.6 1.0
ND1 B:HIS58 4.9 3.4 1.0
O B:PRO66 5.0 12.7 1.0
C B:GLY67 5.0 12.1 1.0

Chlorine binding site 4 out of 7 in 2glm

Go back to Chlorine Binding Sites List in 2glm
Chlorine binding site 4 out of 7 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2


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 Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1003

b:25.5
occ:1.00
 O C:HOH2006 3.2 3.0 1.0
O D:HOH2047 3.2 17.6 1.0
O D:HOH2012 3.5 12.9 1.0
N C:GLY67 3.6 10.5 1.0
CB D:PHE101 3.7 20.2 1.0
CE1 C:HIS58 3.8 10.2 1.0
N D:PHE101 3.8 24.5 1.0
NE2 C:HIS58 3.9 9.9 1.0
CD2 D:PHE101 4.0 21.0 1.0
CA C:GLY67 4.3 9.1 1.0
CA C:PRO66 4.4 9.2 1.0
CG D:PHE101 4.4 20.6 1.0
CA D:PHE101 4.4 21.4 1.0
O D:VAL99 4.5 26.7 1.0
C C:PRO66 4.5 9.4 1.0
O D:HOH2041 4.6 4.6 1.0
CA D:TYR100 4.7 27.6 1.0
C D:TYR100 4.7 26.2 1.0
O C:HOH2009 4.8 17.8 1.0
O C:PHE65 4.9 10.7 1.0
CG2 C:ILE64 4.9 15.2 1.0

Chlorine binding site 5 out of 7 in 2glm

Go back to Chlorine Binding Sites List in 2glm
Chlorine binding site 5 out of 7 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2


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 Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1004

b:33.8
occ:1.00
 O D:HOH2007 3.1 8.0 1.0
N D:GLY67 3.3 8.7 1.0
CE1 D:HIS58 3.3 10.9 1.0
NE2 D:HIS58 3.6 9.7 1.0
CA D:PRO66 3.8 10.7 1.0
O C:HOH2010 4.0 15.8 1.0
C D:PRO66 4.0 10.2 1.0
CA D:GLY67 4.2 8.3 1.0
O D:PHE65 4.4 9.4 1.0
O C:HOH2043 4.6 22.6 1.0
ND1 D:HIS58 4.6 12.1 1.0
CB D:PRO66 4.7 10.1 1.0
CG2 D:ILE64 4.7 14.3 1.0
N D:PRO66 4.8 10.5 1.0
CD2 D:HIS58 5.0 11.4 1.0
C D:PHE65 5.0 10.4 1.0

Chlorine binding site 6 out of 7 in 2glm

Go back to Chlorine Binding Sites List in 2glm
Chlorine binding site 6 out of 7 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2


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 Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1005

b:31.1
occ:1.00
 N F:PHE101 3.4 20.6 1.0
CB F:PHE101 3.7 21.6 1.0
N E:GLY67 3.7 11.1 1.0
O F:HOH1010 3.9 4.2 1.0
O F:HOH1012 4.1 15.9 1.0
CE1 E:HIS58 4.1 7.1 1.0
CA F:TYR100 4.2 23.3 1.0
CA F:PHE101 4.2 20.2 1.0
NE2 E:HIS58 4.3 6.6 1.0
CD1 F:PHE101 4.3 21.7 1.0
C F:TYR100 4.3 22.0 1.0
O F:VAL99 4.3 24.7 1.0
CA E:GLY67 4.3 8.6 1.0
CG F:PHE101 4.5 22.4 1.0
O E:HOH2049 4.5 5.2 1.0
C E:PRO66 4.6 11.2 1.0
CG2 E:ILE64 4.7 9.9 1.0
CA E:PRO66 4.7 10.6 1.0
O E:HOH2009 4.8 7.7 1.0
O E:PHE65 4.8 9.2 1.0
CD2 F:TYR100 4.8 27.6 1.0
O F:PHE101 4.9 20.4 1.0
CB F:TYR100 5.0 23.8 1.0

Chlorine binding site 7 out of 7 in 2glm

Go back to Chlorine Binding Sites List in 2glm
Chlorine binding site 7 out of 7 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1006

b:21.7
occ:1.00
 O F:HOH1041 3.2 25.2 1.0
N F:GLY67 3.3 10.6 1.0
O E:HOH2014 3.3 4.0 1.0
CB E:PHE101 3.8 16.7 1.0
N E:PHE101 3.8 19.7 1.0
CD2 E:PHE101 3.8 17.6 1.0
CE1 F:HIS58 3.9 12.0 1.0
NE2 F:HIS58 3.9 11.0 1.0
CA F:GLY67 4.0 11.4 1.0
C F:PRO66 4.2 9.3 1.0
CA F:PRO66 4.3 10.3 1.0
CG E:PHE101 4.3 18.8 1.0
CA E:PHE101 4.5 16.1 1.0
O F:HOH1043 4.5 10.1 1.0
O E:VAL99 4.5 24.8 1.0
CA E:TYR100 4.7 21.7 1.0
C E:TYR100 4.7 20.9 1.0
O F:PHE65 4.8 11.6 1.0
CE2 E:PHE101 4.9 17.1 1.0

Reference:

L.Zhang, W.Liu, T.Hu, L.Du, C.Luo, K.Chen, X.Shen, H.Jiang. Structural Basis For Catalytic and Inhibitory Mechanisms of Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (Fabz). J.Biol.Chem. V. 283 5370 2008.
ISSN: ISSN 0021-9258
PubMed: 18093984
DOI: 10.1074/JBC.M705566200
Page generated: Sat Jul 20 07:32:15 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy