Chlorine in PDB 1b6g: Haloalkane Dehalogenase at pH 5.0 Containing Chloride

All present enzymatic activity of Haloalkane Dehalogenase at pH 5.0 Containing Chloride:
3.8.1.5;

The structure of Haloalkane Dehalogenase at pH 5.0 Containing Chloride, PDB code: 1b6g was solved by I.S.Ridder, H.J.Rozeboom, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.15
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.180, 72.029, 40.909, 90.00, 90.00, 90.00
R / Rfree (%)	10.6 / 14.5

The structure of Haloalkane Dehalogenase at pH 5.0 Containing Chloride also contains other interesting chemical elements:

Lead

(Pb)

2 atoms

The binding sites of Chlorine atom in the Haloalkane Dehalogenase at pH 5.0 Containing Chloride (pdb code 1b6g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Haloalkane Dehalogenase at pH 5.0 Containing Chloride, PDB code: 1b6g:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Haloalkane Dehalogenase at pH 5.0 Containing Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Haloalkane Dehalogenase at pH 5.0 Containing Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1998 b:9.6 occ:1.00 O A:HOH2197 3.1 17.2 1.0 NE1 A:TRP175 3.2 9.6 1.0 NE1 A:TRP125 3.3 9.2 1.0 CA A:PRO223 3.4 9.9 1.0 N A:PRO223 3.5 9.2 1.0 CG A:GLU56 3.6 8.5 1.0 CD1 A:TRP125 3.6 9.2 1.0 CB A:GLU56 3.8 9.0 1.0 C A:PHE222 3.8 9.4 1.0 CB A:PRO223 3.8 11.3 1.0 CG2 A:VAL226 3.8 11.1 1.0 CD A:PRO223 3.9 10.3 1.0 O A:PHE222 3.9 9.8 1.0 CB A:PHE222 4.1 9.6 1.0 CE2 A:TRP175 4.1 9.1 1.0 CE1 A:PHE172 4.1 12.5 1.0 CD1 A:TRP175 4.3 9.5 1.0 CG A:PRO223 4.3 13.6 1.0 CZ2 A:TRP175 4.4 9.8 1.0 CD A:GLU56 4.5 8.7 1.0 CE2 A:TRP125 4.6 9.7 1.0 CA A:PHE222 4.6 9.5 1.0 OD2 A:ASP124 4.7 10.6 1.0 OE2 A:GLU56 4.7 9.7 1.0 C A:PRO223 4.8 9.9 1.0 CZ A:PHE172 4.9 13.2 1.0 CB A:VAL226 4.9 10.6 1.0 CG A:TRP125 5.0 9.4 1.0 OD1 A:ASP124 5.0 19.0 1.0

Chlorine binding site 2 out of 2 in the Haloalkane Dehalogenase at pH 5.0 Containing Chloride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Haloalkane Dehalogenase at pH 5.0 Containing Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1999 b:11.7 occ:0.38 O A:HOH2000 0.3 13.3 0.6 O A:HOH2150 3.0 23.0 1.0 O A:HOH2012 3.0 17.0 1.0 OG1 A:THR197 3.0 17.6 1.0 CA A:ALA195 3.4 10.5 1.0 C A:ALA195 3.5 10.8 1.0 O A:HOH2335 3.5 10.8 1.0 N A:PRO196 3.6 12.0 1.0 CD A:PRO196 3.7 13.4 1.0 N A:THR197 3.7 11.4 1.0 CB A:ALA195 3.7 11.4 1.0 CB A:THR197 3.9 13.7 1.0 CG2 A:THR197 4.0 17.7 1.0 O A:ALA195 4.2 10.5 1.0 CE1 A:PHE294 4.3 15.0 1.0 CA A:THR197 4.4 11.7 1.0 C A:PRO196 4.6 11.8 1.0 CA A:PRO196 4.6 12.7 1.0 CG A:PRO196 4.7 21.8 1.0 N A:GLY288 4.7 11.4 1.0 N A:ALA195 4.7 10.4 1.0 O A:HOH2554 4.8 16.4 0.5 O A:HOH2567 4.8 17.3 0.5 O A:HOH2564 4.8 21.7 0.5 CB A:GLU293 4.8 10.2 1.0 O A:TRP194 4.9 10.5 1.0 CD1 A:PHE294 5.0 13.5 1.0

I.S.Ridder, H.J.Rozeboom, B.W.Dijkstra. Haloalkane Dehalogenase From Xanthobacter Autotrophicus GJ10 Refined at 1.15 A Resolution. Acta Crystallogr.,Sect.D V. 55 1273 1999.
ISSN: ISSN 0907-4449
PubMed: 10393294
DOI: 10.1107/S090744499900534X