Chlorine in PDB 1k5p: Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution

All present enzymatic activity of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution:
3.8.1.5;

The structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution, PDB code: 1k5p was solved by V.A.Streltsov, J.Damborsky, M.C.J.Wilce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.77 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.286, 68.369, 80.746, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 22.6

The structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution (pdb code 1k5p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution, PDB code: 1k5p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:19.6 occ:1.00 NE1 A:TRP109 3.3 7.1 1.0 O A:HOH1006 3.3 31.3 1.0 N A:PRO208 3.5 8.1 1.0 CA A:PRO208 3.5 13.1 1.0 CZ A:PHE169 3.7 9.8 1.0 ND2 A:ASN38 3.7 8.6 1.0 C A:TRP207 3.8 12.8 1.0 CD A:PRO208 3.8 8.4 1.0 CB A:PRO208 3.8 8.3 1.0 O A:HOH1009 3.8 47.5 1.0 CD1 A:TRP109 3.9 9.1 1.0 CE2 A:PHE169 3.9 10.9 1.0 CD1 A:ILE211 4.0 10.8 1.0 O A:TRP207 4.0 7.7 1.0 CB A:TRP207 4.0 8.2 1.0 CE2 A:PHE151 4.3 12.4 1.0 CG1 A:ILE211 4.3 7.7 1.0 CB A:ASN38 4.3 7.8 1.0 CG A:PRO208 4.5 8.6 1.0 CG A:ASN38 4.5 11.4 1.0 CE2 A:TRP109 4.5 6.9 1.0 CA A:TRP207 4.6 10.5 1.0 CE1 A:PHE169 4.8 10.7 1.0 OD1 A:ASP108 4.8 18.2 1.0 OD2 A:ASP108 4.8 9.1 1.0 C A:PRO208 4.9 12.6 1.0

Chlorine binding site 2 out of 2 in the Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 at 1.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:17.6 occ:1.00 N A:ALA218 3.2 12.5 1.0 CG2 A:THR216 3.6 17.4 1.0 CA A:PRO217 3.6 13.0 1.0 C A:PRO217 3.9 15.1 1.0 CB A:ALA218 3.9 13.0 1.0 CA A:ALA218 4.1 11.5 1.0 CB A:THR216 4.4 18.7 1.0 CA A:THR216 4.4 10.6 1.0 CB A:PRO217 4.5 17.6 1.0 OG1 A:THR216 4.5 27.1 1.0 N A:PRO217 4.7 14.0 1.0 O A:GLY215 4.9 12.2 1.0

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