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Chlorine in PDB 2glp: Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1

Protein crystallography data

The structure of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1, PDB code: 2glp 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 / 2.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.003, 100.578, 186.472, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.5

Other elements in 2glp:

The structure of Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1 also contains other interesting chemical elements:

Bromine (Br) 4 atoms

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 1 (pdb code 2glp). 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 Compound 1, PDB code: 2glp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2glp

Go back to Chlorine Binding Sites List in 2glp
Chlorine binding site 1 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1


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

b:34.6
occ:1.00
 O B:HOH2096 3.1 45.4 1.0
O B:HOH2071 3.1 24.8 1.0
O B:HOH2011 3.2 16.3 1.0
N A:GLY67 3.3 15.8 1.0
O B:HOH2094 3.4 45.8 1.0
CE1 A:HIS58 3.6 21.1 1.0
NE2 A:HIS58 3.7 19.8 1.0
O B:HOH2029 3.8 24.3 1.0
CA A:PRO66 4.0 17.2 1.0
O B:HOH2095 4.0 32.1 1.0
CA A:GLY67 4.1 15.4 1.0
C A:PRO66 4.1 16.7 1.0
O B:HOH2086 4.4 26.4 1.0
O A:PHE65 4.7 18.8 1.0
ND1 A:HIS58 4.9 18.4 1.0
CAC A:BDE3001 4.9 62.1 1.0
N A:PRO66 4.9 17.0 1.0
CG2 A:ILE64 5.0 22.3 1.0
CD2 A:HIS58 5.0 21.0 1.0
CB A:PRO66 5.0 17.5 1.0

Chlorine binding site 2 out of 6 in 2glp

Go back to Chlorine Binding Sites List in 2glp
Chlorine binding site 2 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1


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

b:43.4
occ:1.00
 O A:HOH3007 2.6 25.7 1.0
O A:HOH3094 2.6 64.2 1.0
O A:HOH3015 3.0 36.9 1.0
N B:GLY67 3.2 17.6 1.0
CE1 B:HIS58 3.7 18.0 1.0
NE2 B:HIS58 4.0 17.3 1.0
CA B:PRO66 4.0 16.3 1.0
CA B:GLY67 4.0 15.0 1.0
C B:PRO66 4.0 16.6 1.0
CD1 A:PHE101 4.1 52.4 1.0
O B:HOH2060 4.1 23.1 1.0
CE1 A:PHE101 4.1 52.6 1.0
O B:PHE65 4.1 17.1 1.0
O A:HOH3091 4.2 25.6 1.0
O A:HOH3010 4.3 19.3 1.0
CG2 B:ILE64 4.5 18.1 1.0
O B:HOH2009 4.8 13.4 1.0
O A:HOH3090 4.8 51.6 1.0
N B:PRO66 4.8 16.7 1.0
C B:PHE65 4.9 16.4 1.0
CG A:PHE101 4.9 50.6 1.0
CZ A:PHE101 5.0 52.2 1.0
ND1 B:HIS58 5.0 18.6 1.0

Chlorine binding site 3 out of 6 in 2glp

Go back to Chlorine Binding Sites List in 2glp
Chlorine binding site 3 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1


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

b:40.2
occ:1.00
 O D:HOH1045 3.1 29.6 1.0
N C:GLY67 3.3 20.8 1.0
O D:HOH1005 3.4 15.0 1.0
CB D:PHE101 3.7 34.5 1.0
CE1 C:HIS58 4.0 23.4 1.0
CA C:GLY67 4.0 18.6 1.0
N D:PHE101 4.0 36.8 1.0
CD2 D:PHE101 4.1 34.8 1.0
O D:HOH1011 4.1 25.7 1.0
NE2 C:HIS58 4.1 24.5 1.0
O C:HOH3036 4.3 21.4 1.0
C C:PRO66 4.3 19.5 1.0
CA C:PRO66 4.3 17.9 1.0
CG D:PHE101 4.4 34.9 1.0
CA D:PHE101 4.5 34.1 1.0
O C:PHE65 4.8 21.0 1.0
O C:HOH3011 4.9 20.1 1.0

Chlorine binding site 4 out of 6 in 2glp

Go back to Chlorine Binding Sites List in 2glp
Chlorine binding site 4 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1


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

b:43.7
occ:1.00
 N D:GLY67 3.0 16.9 1.0
O C:HOH3003 3.2 14.1 1.0
CE1 D:HIS58 3.5 21.6 1.0
CA D:PRO66 3.6 16.9 1.0
C D:PRO66 3.8 16.9 1.0
NE2 D:HIS58 3.8 20.2 1.0
CA D:GLY67 3.9 16.0 1.0
O D:HOH1051 4.1 32.4 1.0
O C:HOH3015 4.3 19.9 1.0
O D:PHE65 4.3 19.5 1.0
CB D:PRO66 4.5 17.3 1.0
N D:PRO66 4.6 17.2 1.0
ND1 D:HIS58 4.8 21.4 1.0
C D:PHE65 4.8 17.1 1.0
CG2 D:ILE64 4.9 16.5 1.0
O D:HOH1022 4.9 19.6 1.0
O D:PRO66 5.0 17.2 1.0

Chlorine binding site 5 out of 6 in 2glp

Go back to Chlorine Binding Sites List in 2glp
Chlorine binding site 5 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1


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

b:43.5
occ:1.00
 O F:HOH2027 2.9 34.1 1.0
N E:GLY67 3.4 19.8 1.0
O F:HOH2014 3.7 17.9 1.0
CE1 E:HIS58 3.8 18.4 1.0
N F:PHE101 3.8 31.9 1.0
NE2 E:HIS58 3.9 17.7 1.0
CB F:PHE101 4.0 32.9 1.0
CA E:GLY67 4.1 19.5 1.0
O F:HOH2025 4.2 30.1 1.0
CA E:PRO66 4.2 16.7 1.0
C E:PRO66 4.2 18.6 1.0
O F:HOH2043 4.4 15.6 1.0
CD1 F:PHE101 4.5 33.7 1.0
CA F:PHE101 4.6 32.0 1.0
CA F:TYR100 4.6 34.8 1.0
O E:PHE65 4.7 17.2 1.0
O F:VAL99 4.7 35.9 1.0
C F:TYR100 4.7 33.4 1.0
CG2 E:ILE64 4.8 19.0 1.0
CG F:PHE101 4.8 34.5 1.0
O E:HOH1006 5.0 21.1 1.0

Chlorine binding site 6 out of 6 in 2glp

Go back to Chlorine Binding Sites List in 2glp
Chlorine binding site 6 out of 6 in the Crystal Structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(Fabz) From Helicobacter Pylori Complexed with Compound 1


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

b:39.8
occ:1.00
 O E:HOH1025 2.9 37.2 1.0
O E:HOH1012 3.0 32.0 1.0
N F:GLY67 3.3 19.2 1.0
O E:HOH1010 3.5 18.3 1.0
CE1 F:HIS58 3.8 22.0 1.0
NE2 F:HIS58 3.9 21.9 1.0
N E:PHE101 3.9 30.1 1.0
CB E:PHE101 4.0 27.9 1.0
CA F:GLY67 4.1 18.2 1.0
C F:PRO66 4.3 18.6 1.0
CA F:PRO66 4.3 18.3 1.0
O F:HOH2045 4.4 24.5 1.0
CD2 E:PHE101 4.4 27.1 1.0
O F:PHE65 4.6 20.0 1.0
O E:VAL99 4.6 36.0 1.0
CA E:PHE101 4.6 27.7 1.0
CA E:TYR100 4.7 33.0 1.0
CG E:PHE101 4.7 28.3 1.0
C E:TYR100 4.8 31.6 1.0
CG2 F:ILE64 4.9 19.8 1.0
O F:HOH2013 5.0 19.7 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 07:32:41 2024

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