Chlorine in PDB 2o3z: X-Ray Crystal Structure of Lpxc Complexed with 3-Heptyloxybenzoate

The structure of X-Ray Crystal Structure of Lpxc Complexed with 3-Heptyloxybenzoate, PDB code: 2o3z was solved by H.A.Gennadios, D.A.Whittington, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.70 / 2.25
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	101.006, 101.006, 122.674, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 22.7

The structure of X-Ray Crystal Structure of Lpxc Complexed with 3-Heptyloxybenzoate also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Lpxc Complexed with 3-Heptyloxybenzoate (pdb code 2o3z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Crystal Structure of Lpxc Complexed with 3-Heptyloxybenzoate, PDB code: 2o3z:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of Lpxc Complexed with 3-Heptyloxybenzoate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Lpxc Complexed with 3-Heptyloxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:47.3 occ:1.00 ZN A:ZN502 2.1 43.6 1.0 NE2 A:HIS200 3.5 38.9 1.0 CD2 A:HIS58 3.8 34.3 1.0 O A:HOH602 3.8 27.4 1.0 NE2 A:HIS58 3.8 35.5 1.0 CB A:ASN57 4.0 38.2 1.0 CE1 A:HIS200 4.0 37.5 1.0 CG2 A:VAL204 4.1 32.1 1.0 ND2 A:ASN57 4.2 44.5 1.0 CG1 A:VAL204 4.4 30.3 1.0 CG A:ASN57 4.4 42.5 1.0 CB A:VAL204 4.4 31.0 1.0 CD2 A:HIS200 4.7 35.6 1.0 CD1 A:LEU206 4.8 25.8 1.0

H.Shin, H.A.Gennadios, D.A.Whittington, D.W.Christianson. Amphipathic Benzoic Acid Derivatives: Synthesis and Binding in the Hydrophobic Tunnel of the Zinc Deacetylase Lpxc. Bioorg.Med.Chem. V. 15 2617 2007.
ISSN: ISSN 0968-0896
PubMed: 17296300
DOI: 10.1016/J.BMC.2007.01.044