Sodium in PDB 2rhw: Crystal Structure of the S112A Mutant of A C-C Hydrolase, Bphd From Burkholderia Xenovorans LB400, in Complex with 3,10-Di-Fluoro Hopda

The structure of Crystal Structure of the S112A Mutant of A C-C Hydrolase, Bphd From Burkholderia Xenovorans LB400, in Complex with 3,10-Di-Fluoro Hopda, PDB code: 2rhw was solved by S.Bhowmik, J.T.Bolin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.80 / 1.57
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	117.956, 117.956, 87.193, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20

The structure of Crystal Structure of the S112A Mutant of A C-C Hydrolase, Bphd From Burkholderia Xenovorans LB400, in Complex with 3,10-Di-Fluoro Hopda also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of the S112A Mutant of A C-C Hydrolase, Bphd From Burkholderia Xenovorans LB400, in Complex with 3,10-Di-Fluoro Hopda (pdb code 2rhw). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of the S112A Mutant of A C-C Hydrolase, Bphd From Burkholderia Xenovorans LB400, in Complex with 3,10-Di-Fluoro Hopda, PDB code: 2rhw:

Sodium binding site 1 out of 1 in the Crystal Structure of the S112A Mutant of A C-C Hydrolase, Bphd From Burkholderia Xenovorans LB400, in Complex with 3,10-Di-Fluoro Hopda


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the S112A Mutant of A C-C Hydrolase, Bphd From Burkholderia Xenovorans LB400, in Complex with 3,10-Di-Fluoro Hopda within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1 b:21.1 occ:1.00 O A:HOH452 2.2 34.5 1.0 O9 A:MLI287 2.3 24.6 1.0 O A:HOH343 2.3 20.6 1.0 O7 A:MLI287 2.5 20.9 1.0 C3 A:MLI287 3.2 25.4 1.0 C2 A:MLI287 3.3 25.0 1.0 C1 A:MLI287 3.4 20.1 1.0 O A:SER180 4.1 26.0 1.0 O8 A:MLI287 4.3 25.6 1.0 CB A:SER180 4.5 25.1 1.0 O6 A:MLI287 4.5 22.5 1.0 CA A:SER180 4.9 23.4 1.0 C A:SER180 4.9 27.2 1.0

S.Bhowmik, G.P.Horsman, J.T.Bolin, L.D.Eltis. The Molecular Basis For Inhibition of Bphd, A C-C Bond Hydrolase Involved in Polychlorinated Biphenyls Degradation: Large 3-Substituents Prevent Tautomerization. J.Biol.Chem. V. 282 36377 2007.
ISSN: ISSN 0021-9258
PubMed: 17932031
DOI: 10.1074/JBC.M707035200