Chlorine in PDB 4azt: Co-Crystal Structure of Wbdd and Kinase Inhibitor LY294002.

The structure of Co-Crystal Structure of Wbdd and Kinase Inhibitor LY294002., PDB code: 4azt was solved by G.Hagelueken, H.Huang, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	112.42 / 2.34
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	158.984, 158.984, 158.984, 90.00, 90.00, 90.00
R / Rfree (%)	18.752 / 25.517

The binding sites of Chlorine atom in the Co-Crystal Structure of Wbdd and Kinase Inhibitor LY294002. (pdb code 4azt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Co-Crystal Structure of Wbdd and Kinase Inhibitor LY294002., PDB code: 4azt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Co-Crystal Structure of Wbdd and Kinase Inhibitor LY294002.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crystal Structure of Wbdd and Kinase Inhibitor LY294002. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1481 b:31.5 occ:1.00 O A:HOH2114 3.0 28.6 1.0 ND1 A:HIS132 3.0 35.1 1.0 N A:HIS132 3.1 28.3 1.0 O A:HOH2093 3.2 23.0 1.0 N A:ALA162 3.2 24.0 1.0 N A:PHE131 3.5 25.7 1.0 O A:GLU160 3.6 20.6 1.0 CB A:HIS132 3.6 31.7 1.0 CA A:LEU161 3.7 22.1 1.0 CA A:SER129 3.7 24.1 1.0 N A:VAL130 3.7 23.9 1.0 CG A:HIS132 3.7 33.6 1.0 C A:SER129 3.9 25.6 1.0 CA A:HIS132 3.9 31.7 1.0 C A:LEU161 3.9 24.4 1.0 C A:PHE131 4.0 27.6 1.0 CB A:ALA162 4.0 24.5 1.0 CE1 A:HIS132 4.1 34.9 1.0 CA A:PHE131 4.1 25.8 1.0 CD2 A:LEU161 4.1 20.4 1.0 N A:SER129 4.2 21.6 1.0 CA A:ALA162 4.2 24.5 1.0 C A:VAL130 4.2 26.7 1.0 CB A:PHE131 4.4 24.9 1.0 C A:GLU160 4.5 20.3 1.0 CB A:LEU161 4.5 21.7 1.0 N A:LEU161 4.6 21.4 1.0 CA A:VAL130 4.6 25.5 1.0 O A:SER129 4.8 23.9 1.0 CG A:LEU161 4.9 21.4 1.0 CB A:SER129 4.9 23.5 1.0

Chlorine binding site 2 out of 2 in the Co-Crystal Structure of Wbdd and Kinase Inhibitor LY294002.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Co-Crystal Structure of Wbdd and Kinase Inhibitor LY294002. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1482 b:23.7 occ:0.33 N A:TYR169 3.3 31.5 1.0 CD1 A:TYR169 3.4 35.9 1.0 CA A:PHE168 3.9 28.1 1.0 CB A:TYR169 4.0 35.6 1.0 C A:PHE168 4.1 30.1 1.0 CG A:TYR169 4.1 37.2 1.0 CB A:PHE168 4.2 27.4 1.0 CA A:TYR169 4.2 34.1 1.0 CD1 A:PHE168 4.3 27.6 1.0 CE1 A:TYR169 4.3 36.1 1.0 CG A:PHE168 4.7 27.1 1.0 O A:PRO167 4.9 27.4 1.0

G.Hagelueken, H.Huang, B.R.Clarke, T.Lebl, C.Whitfield, J.H.Naismith. Structure of Wbdd; A Bifunctional Kinase and Methyltransferase That Regulates the Chain Length of the O Antigen in Escherichia Coli O9A. Mol.Microbiol. V. 86 730 2012.
ISSN: ISSN 0950-382X
PubMed: 22970759
DOI: 10.1111/MMI.12014