Bromine in PDB 1iz8: Re-Refinement of the Structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,3-Propanediol, A Product of Debromidation of Dibrompropane, at 2.0A Resolution

The structure of Re-Refinement of the Structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,3-Propanediol, A Product of Debromidation of Dibrompropane, at 2.0A Resolution, PDB code: 1iz8 was solved by V.A.Streltsov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.94 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	50.227, 71.721, 73.319, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 24.8

The structure of Re-Refinement of the Structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,3-Propanediol, A Product of Debromidation of Dibrompropane, at 2.0A Resolution also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Bromine atom in the Re-Refinement of the Structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,3-Propanediol, A Product of Debromidation of Dibrompropane, at 2.0A Resolution (pdb code 1iz8). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Re-Refinement of the Structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,3-Propanediol, A Product of Debromidation of Dibrompropane, at 2.0A Resolution, PDB code: 1iz8:

Bromine binding site 1 out of 1 in the Re-Refinement of the Structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,3-Propanediol, A Product of Debromidation of Dibrompropane, at 2.0A Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Re-Refinement of the Structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 with 1,3-Propanediol, A Product of Debromidation of Dibrompropane, at 2.0A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:31.0 occ:1.00 O A:HOH1274 3.2 32.3 1.0 NE1 A:TRP109 3.4 10.4 1.0 ND2 A:ASN38 3.5 11.1 1.0 N A:PRO208 3.5 12.7 1.0 CA A:PRO208 3.6 13.6 1.0 CZ A:PHE169 3.6 10.3 1.0 CD1 A:ILE211 3.7 18.6 1.0 CD A:PRO208 3.8 12.2 1.0 CD1 A:TRP109 3.9 12.8 1.0 CE2 A:PHE169 3.9 13.4 1.0 CB A:PRO208 3.9 11.2 1.0 C A:TRP207 3.9 11.7 1.0 CB A:TRP207 4.0 11.2 1.0 CB A:ASN38 4.0 13.1 1.0 CE2 A:PHE151 4.0 14.1 1.0 CG1 A:ILE211 4.2 16.5 1.0 O3 A:PDO2001 4.2 26.3 0.5 CG A:ASN38 4.2 16.0 1.0 O A:TRP207 4.3 13.2 1.0 CG A:PRO208 4.5 12.5 1.0 CE2 A:TRP109 4.6 15.8 1.0 CA A:TRP207 4.6 11.1 1.0 OD2 A:ASP108 4.6 18.9 1.0 CE1 A:PHE169 4.6 13.6 1.0 OD1 A:ASP108 4.7 27.3 1.0 CZ A:PHE151 4.8 16.2 1.0 C3 A:PDO2001 4.8 30.4 0.5

V.A.Streltsov, Z.Prokop, J.Damborsky, Y.Nagata, A.Oakley, M.C.J.Wilce. Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26: X-Ray Crystallographic Studies of Dehalogenation of Brominated Substrates Biochemistry V. 42 10104 2003.
ISSN: ISSN 0006-2960
PubMed: 12939138
DOI: 10.1021/BI027280A