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

Protein crystallography data

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

Other elements in 2o3z:

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

Zinc (Zn) 5 atoms

Chlorine Binding Sites:

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 2o3z

Go back to Chlorine Binding Sites List in 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

Reference:

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
Page generated: Sat Dec 12 09:12:33 2020

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