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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

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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

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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

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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

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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

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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

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