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

Protein crystallography data

The structure of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori, PDB code: 2gll 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) 15.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.857, 100.585, 185.752, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 25.5

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 6 in 2gll

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Chlorine binding site 1 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori


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

b:32.6
occ:1.00
 N A:GLY67 3.0 13.8 1.0
O B:HOH2018 3.0 15.3 1.0
O A:HOH2071 3.2 27.3 1.0
NE2 A:HIS58 3.4 17.4 1.0
CA A:PRO66 3.7 16.2 1.0
CE1 A:HIS58 3.8 15.2 1.0
C A:PRO66 3.8 16.0 1.0
O B:HOH2008 3.9 20.0 1.0
CA A:GLY67 3.9 14.5 1.0
O A:HOH2060 4.3 23.0 1.0
O A:PHE65 4.5 17.4 1.0
CD2 A:HIS58 4.7 14.1 1.0
O B:HOH2034 4.7 25.9 1.0
N A:PRO66 4.7 17.0 1.0
CB A:PRO66 4.7 16.6 1.0
C A:PHE65 5.0 16.7 1.0
CG2 A:ILE64 5.0 18.1 1.0

Chlorine binding site 2 out of 6 in 2gll

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Chlorine binding site 2 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori


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

b:43.8
occ:1.00
 O B:HOH2072 2.9 36.0 1.0
N B:GLY67 3.3 14.8 1.0
O A:HOH2004 3.4 12.8 1.0
CE1 B:HIS58 3.7 17.4 1.0
NE2 B:HIS58 3.8 18.5 1.0
CA B:GLY67 4.1 13.2 1.0
CA B:PRO66 4.1 15.1 1.0
C B:PRO66 4.2 14.8 1.0
O A:HOH2019 4.2 19.0 1.0
O B:HOH2060 4.2 24.1 1.0
O B:PHE65 4.5 18.0 1.0
CG2 B:ILE64 4.8 18.9 1.0
ND1 B:HIS58 4.9 14.6 1.0
O B:HOH2012 5.0 15.2 1.0

Chlorine binding site 3 out of 6 in 2gll

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


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

b:34.0
occ:1.00
 N C:GLY67 3.1 19.2 1.0
O C:HOH2016 3.3 17.3 1.0
O D:HOH1082 3.4 35.7 1.0
NE2 C:HIS58 3.6 20.5 1.0
CA C:GLY67 3.8 18.0 1.0
O D:HOH1007 3.9 28.1 1.0
CA C:PRO66 4.0 17.1 1.0
C C:PRO66 4.0 18.0 1.0
CB D:PHE101 4.1 26.1 1.0
N D:PHE101 4.1 26.1 1.0
CE1 C:HIS58 4.2 20.3 1.0
O C:PHE65 4.3 21.2 1.0
CD2 D:PHE101 4.3 27.0 1.0
O D:HOH1043 4.4 18.6 1.0
CG D:PHE101 4.7 27.3 1.0
CD2 C:HIS58 4.7 17.3 1.0
CG2 C:ILE64 4.8 23.6 1.0
CA D:PHE101 4.8 25.4 1.0
O C:HOH2017 4.9 15.5 1.0
N C:PRO66 5.0 18.1 1.0
CB C:PRO66 5.0 17.8 1.0
O D:VAL99 5.0 28.5 1.0
CA D:TYR100 5.0 28.5 1.0

Chlorine binding site 4 out of 6 in 2gll

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Chlorine binding site 4 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori


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

b:34.4
occ:1.00
 N D:GLY67 3.1 14.8 1.0
NE2 D:HIS58 3.3 19.9 1.0
O C:HOH2008 3.4 15.6 1.0
CA D:PRO66 3.7 16.1 1.0
O C:HOH2057 3.7 26.6 1.0
CE1 D:HIS58 3.8 18.0 1.0
O C:HOH2022 3.8 20.4 1.0
C D:PRO66 3.9 16.3 1.0
CA D:GLY67 4.1 15.0 1.0
O C:HOH2080 4.1 38.1 1.0
O D:PHE65 4.4 16.7 1.0
O C:HOH2052 4.5 26.8 1.0
CD2 D:HIS58 4.5 18.2 1.0
O D:HOH1045 4.5 38.4 1.0
CB D:PRO66 4.6 17.4 1.0
N D:PRO66 4.6 17.3 1.0
CG2 D:ILE64 4.7 13.9 1.0
C D:PHE65 4.9 15.9 1.0

Chlorine binding site 5 out of 6 in 2gll

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Chlorine binding site 5 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1005

b:42.7
occ:1.00
 N E:GLY67 3.2 17.7 1.0
O F:HOH2009 3.3 17.2 1.0
NE2 E:HIS58 3.5 18.7 1.0
O F:HOH2020 3.8 31.4 1.0
CE1 E:HIS58 3.9 16.6 1.0
N F:PHE101 4.0 33.7 1.0
CA E:GLY67 4.0 18.1 1.0
CB F:PHE101 4.0 36.0 1.0
CA E:PRO66 4.0 17.4 1.0
C E:PRO66 4.1 18.2 1.0
CD1 F:PHE101 4.1 37.1 1.0
O F:HOH2045 4.2 26.0 1.0
CG F:PHE101 4.6 37.4 1.0
O E:HOH2044 4.6 23.9 1.0
O F:VAL99 4.7 34.5 1.0
CA F:PHE101 4.7 34.1 1.0
O E:PHE65 4.7 18.2 1.0
CD2 E:HIS58 4.7 16.5 1.0
CA F:TYR100 4.8 33.4 1.0
CG2 E:ILE64 4.8 21.5 1.0
C F:TYR100 4.8 33.7 1.0
CB E:PRO66 5.0 17.9 1.0

Chlorine binding site 6 out of 6 in 2gll

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1006

b:35.1
occ:1.00
 O E:HOH2110 2.6 21.2 1.0
O E:HOH2111 3.1 29.7 1.0
N F:GLY67 3.4 16.2 1.0
O E:HOH2009 3.5 14.5 1.0
N E:PHE101 3.8 26.7 1.0
CB E:PHE101 3.8 25.2 1.0
NE2 F:HIS58 4.0 18.7 1.0
CE1 F:HIS58 4.1 18.8 1.0
CA F:GLY67 4.1 15.2 1.0
CD2 E:PHE101 4.1 22.0 1.0
O F:HOH2039 4.4 19.7 1.0
C F:PRO66 4.4 17.2 1.0
O E:HOH2109 4.4 31.3 1.0
CA F:PRO66 4.4 18.3 1.0
CA E:PHE101 4.4 25.3 1.0
CG E:PHE101 4.5 24.0 1.0
O E:VAL99 4.6 29.4 1.0
CA E:TYR100 4.6 27.6 1.0
C E:TYR100 4.7 27.5 1.0
O F:PHE65 4.8 18.6 1.0
CG2 F:ILE64 4.8 18.7 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 07:31:33 2024

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