Chlorine in PDB 4ax8: Medium Resolution Structure of the Bifunctional Kinase- Methyltransferase Wbdd

The structure of Medium Resolution Structure of the Bifunctional Kinase- Methyltransferase Wbdd, PDB code: 4ax8 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)	68.32 / 3.00
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	167.340, 167.340, 167.340, 90.00, 90.00, 90.00
R / Rfree (%)	21.244 / 23.282

The binding sites of Chlorine atom in the Medium Resolution Structure of the Bifunctional Kinase- Methyltransferase Wbdd (pdb code 4ax8). 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 Medium Resolution Structure of the Bifunctional Kinase- Methyltransferase Wbdd, PDB code: 4ax8:

Chlorine binding site 1 out of 1 in the Medium Resolution Structure of the Bifunctional Kinase- Methyltransferase Wbdd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Medium Resolution Structure of the Bifunctional Kinase- Methyltransferase Wbdd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1478 b:78.1 occ:1.00 HD1 A:HIS132 2.1 71.7 1.0 H A:ALA162 2.2 53.0 1.0 H A:HIS132 2.5 57.5 1.0 HA A:LEU161 2.5 45.8 1.0 HA A:SER129 2.7 49.5 1.0 H A:PHE131 3.0 57.2 1.0 ND1 A:HIS132 3.1 71.7 1.0 N A:ALA162 3.1 53.0 1.0 HD21 A:LEU161 3.2 42.2 1.0 HB3 A:HIS132 3.2 65.8 1.0 H A:VAL130 3.2 49.7 1.0 N A:HIS132 3.4 57.5 1.0 O A:GLU160 3.4 45.0 1.0 N A:PHE131 3.5 57.2 1.0 HB1 A:ALA162 3.5 53.7 1.0 N A:VAL130 3.5 49.7 1.0 CA A:LEU161 3.6 45.8 1.0 CA A:SER129 3.6 49.5 1.0 HB3 A:ALA162 3.7 53.7 1.0 HB2 A:PHE131 3.7 52.5 1.0 C A:SER129 3.8 50.1 1.0 H A:SER129 3.9 47.5 1.0 C A:LEU161 3.9 48.8 1.0 CB A:HIS132 3.9 65.8 1.0 CG A:HIS132 3.9 70.7 1.0 CB A:ALA162 4.0 53.7 1.0 CD2 A:LEU161 4.1 42.2 1.0 CE1 A:HIS132 4.1 74.7 1.0 C A:VAL130 4.1 53.1 1.0 N A:SER129 4.1 47.5 1.0 CA A:ALA162 4.1 54.1 1.0 HD23 A:LEU161 4.1 42.2 1.0 CA A:PHE131 4.2 57.2 1.0 CA A:HIS132 4.2 61.6 1.0 C A:PHE131 4.2 59.7 1.0 C A:GLU160 4.3 44.1 1.0 HE1 A:HIS132 4.3 74.7 1.0 HB3 A:LEU161 4.4 47.2 1.0 CA A:VAL130 4.4 50.7 1.0 N A:LEU161 4.4 46.8 1.0 CB A:PHE131 4.4 52.5 1.0 CB A:LEU161 4.5 47.2 1.0 O A:SER129 4.6 52.8 1.0 HA A:HIS132 4.7 61.6 1.0 HD3 A:ARG203 4.8 57.9 1.0 HA A:VAL130 4.8 50.7 1.0 CB A:SER129 4.8 52.0 1.0 HA A:ALA162 4.8 54.1 1.0 CG A:LEU161 4.9 48.2 1.0 HD22 A:LEU161 4.9 42.2 1.0 HB2 A:HIS132 4.9 65.8 1.0 HD2 A:PHE131 4.9 57.6 1.0 O A:VAL130 4.9 54.9 1.0 H A:HIS133 5.0 77.1 1.0 HB3 A:PHE131 5.0 52.5 1.0 O A:ALA162 5.0 54.0 1.0

G.Hagelueken, H.Huang, K.Harlos, B.R.Clarke, C.Whitfield, J.H.Naismith. Crystallization, Dehydration and Experimental Phasing of Wbdd, A Bifunctional Kinase and Methyltransferase From Escherichia Coli O9A. Acta Crystallogr.,Sect.D V. 68 1371 2012.
ISSN: ISSN 0907-4449
PubMed: 22993091
DOI: 10.1107/S0907444912029599