Chlorine in PDB 3hka: Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Fructuronate

The structure of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Fructuronate, PDB code: 3hka was solved by A.A.Fedorov, E.V.Fedorov, T.T.Nguyen, F.M.Raushel, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.85 / 1.90
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	132.596, 132.596, 195.638, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.1

The structure of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Fructuronate also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Fructuronate (pdb code 3hka). 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 Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Fructuronate, PDB code: 3hka:

Chlorine binding site 1 out of 1 in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Fructuronate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Fructuronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl431 b:14.6 occ:1.00 NZ B:LYS278 3.0 15.1 1.0 NZ C:LYS278 3.1 12.0 1.0 NZ A:LYS278 3.2 11.9 1.0 CG B:GLU304 3.6 15.0 1.0 CG C:GLU304 3.6 17.9 1.0 CG A:GLU304 3.6 15.8 1.0 CD C:LYS278 3.7 15.7 1.0 CB C:GLU304 3.7 16.4 1.0 CB B:GLU304 3.7 15.1 1.0 CD B:LYS278 3.7 16.0 1.0 CB A:GLU304 3.8 14.7 1.0 CD A:LYS278 3.8 15.5 1.0 CE C:LYS278 3.8 15.3 1.0 CE B:LYS278 3.8 15.4 1.0 CE A:LYS278 3.9 16.0 1.0 O B:HOH432 4.7 13.0 1.0 O A:HOH456 4.8 14.9 1.0 O A:HOH458 4.8 17.4 1.0 CD B:GLU304 4.9 17.6 1.0 CA B:GLU304 5.0 14.8 1.0 CA C:GLU304 5.0 15.1 1.0 CD A:GLU304 5.0 18.7 1.0

T.T.Nguyen, A.A.Fedorov, L.Williams, E.V.Fedorov, Y.Li, C.Xu, S.C.Almo, F.M.Raushel. The Mechanism of the Reaction Catalyzed By Uronate Isomerase Illustrates How An Isomerase May Have Evolved From A Hydrolase Within the Amidohydrolase Superfamily. Biochemistry V. 48 8879 2009.
ISSN: ISSN 0006-2960
PubMed: 19678710
DOI: 10.1021/BI901046X