Chlorine in PDB 4azs: High Resolution (2.2 A) Crystal Structure of Wbdd.

The structure of High Resolution (2.2 A) Crystal Structure of Wbdd., PDB code: 4azs 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)	65.00 / 2.15
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	159.220, 159.220, 159.220, 90.00, 90.00, 90.00
R / Rfree (%)	17.638 / 22.168

The binding sites of Chlorine atom in the High Resolution (2.2 A) Crystal Structure of Wbdd. (pdb code 4azs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High Resolution (2.2 A) Crystal Structure of Wbdd., PDB code: 4azs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High Resolution (2.2 A) Crystal Structure of Wbdd.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution (2.2 A) Crystal Structure of Wbdd. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1487 b:31.4 occ:1.00 O A:HOH2094 3.1 20.2 1.0 ND1 A:HIS132 3.1 36.5 1.0 N A:HIS132 3.1 27.4 1.0 O A:HOH2108 3.2 32.7 1.0 N A:ALA162 3.2 25.3 1.0 N A:PHE131 3.5 25.8 1.0 O A:GLU160 3.6 23.8 1.0 CA A:LEU161 3.6 25.2 1.0 N A:VAL130 3.7 26.9 1.0 CB A:HIS132 3.7 31.5 1.0 CA A:SER129 3.7 25.4 1.0 CG A:HIS132 3.8 34.1 1.0 C A:SER129 3.9 27.9 1.0 CA A:HIS132 3.9 30.5 1.0 C A:LEU161 4.0 25.5 1.0 C A:PHE131 4.0 27.5 1.0 CA A:PHE131 4.0 26.6 1.0 CB A:ALA162 4.1 24.5 1.0 CD2 A:LEU161 4.1 25.8 1.0 C A:VAL130 4.2 27.1 1.0 CE1 A:HIS132 4.2 37.1 1.0 CA A:ALA162 4.2 25.4 1.0 N A:SER129 4.2 24.1 1.0 CB A:PHE131 4.3 26.6 1.0 C A:GLU160 4.5 23.2 1.0 CA A:VAL130 4.5 26.3 1.0 CB A:LEU161 4.5 25.5 1.0 N A:LEU161 4.5 22.3 1.0 O A:SER129 4.7 26.1 1.0 CG A:LEU161 4.9 25.2 1.0 CB A:SER129 5.0 28.7 1.0 O A:VAL130 5.0 26.5 1.0

Chlorine binding site 2 out of 2 in the High Resolution (2.2 A) Crystal Structure of Wbdd.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution (2.2 A) Crystal Structure of Wbdd. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1488 b:43.1 occ:0.50 CB A:GLU142 3.8 39.9 1.0 CA A:GLU142 3.9 35.9 1.0 NH1 A:ARG145 4.0 51.0 1.0 CD A:ARG145 4.2 44.0 1.0 CG A:GLU142 4.4 41.2 1.0 N A:GLU142 4.6 34.6 1.0 OE1 A:GLU142 4.7 45.6 1.0 CZ A:ARG145 4.9 50.3 1.0 CD A:GLU142 4.9 46.4 1.0 NE A:ARG145 5.0 49.0 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