Chlorine in PDB 3hk8: Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinohydroxamate

The structure of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinohydroxamate, PDB code: 3hk8 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)	24.93 / 2.20
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	149.305, 149.305, 254.018, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 22.6

The structure of Crystal Structure of Uronate Isomerase From Bacillus Halodurans Complexed with Zinc and D-Arabinohydroxamate 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-Arabinohydroxamate (pdb code 3hk8). 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-Arabinohydroxamate, PDB code: 3hk8:
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-Arabinohydroxamate


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-Arabinohydroxamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl432 b:1.7 occ:0.33 NZ A:LYS278 3.2 26.4 1.0 CG A:GLU304 3.4 29.5 1.0 CB A:GLU304 3.6 27.1 1.0 CD A:LYS278 3.9 27.7 1.0 CE A:LYS278 3.9 27.7 1.0 O A:HOH522 4.7 34.4 1.0 CD A:GLU304 4.8 30.0 1.0 CA A:GLU304 4.9 27.1 1.0 O A:HOH525 5.0 49.8 1.0

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


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-Arabinohydroxamate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl432 b:2.3 occ:0.33 NZ B:LYS278 3.1 27.5 1.0 CG B:GLU304 3.5 32.8 1.0 CB B:GLU304 3.7 28.9 1.0 CD B:LYS278 3.7 28.2 1.0 CE B:LYS278 3.9 28.0 1.0 CD B:GLU304 4.9 34.2 1.0 O B:HOH520 4.9 36.5 1.0 O B:HOH450 5.0 31.6 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