Chlorine in PDB 3hk5: Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate

The structure of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, PDB code: 3hk5 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)	24.94 / 2.20
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	149.347, 149.347, 254.158, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 23.8

The structure of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate 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-Arabinarate (pdb code 3hk5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate, PDB code: 3hk5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate


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-Arabinarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl432 b:3.2 occ:0.33 NZ A:LYS278 3.2 24.5 1.0 CG A:GLU304 3.4 28.7 1.0 CB A:GLU304 3.6 27.1 1.0 CD A:LYS278 3.9 25.9 1.0 CE A:LYS278 3.9 26.0 1.0 O A:HOH523 4.7 33.0 1.0 CD A:GLU304 4.8 29.9 1.0 CA A:GLU304 4.9 25.6 1.0 O A:HOH526 5.0 36.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl432 b:2.9 occ:0.33 NZ B:LYS278 3.1 23.6 1.0 CG B:GLU304 3.4 32.4 1.0 CB B:GLU304 3.6 28.7 1.0 CD B:LYS278 3.8 26.3 1.0 CE B:LYS278 3.9 25.1 1.0 CD B:GLU304 4.8 32.5 1.0 CA B:GLU304 4.9 28.9 1.0 O B:HOH524 4.9 37.7 1.0 O B:HOH450 5.0 25.8 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