Chlorine in PDB 4c6h: Haloalkane Dehalogenase with 1-Hexanol

All present enzymatic activity of Haloalkane Dehalogenase with 1-Hexanol:
3.8.1.5;

The structure of Haloalkane Dehalogenase with 1-Hexanol, PDB code: 4c6h was solved by H.R.Novak, C.Sayer, M.Isupov, D.Gotz, A.M.Spragg, J.A.Littlechild, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.36 / 1.61
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.450, 71.410, 59.750, 90.00, 90.00, 90.00
R / Rfree (%)	15.286 / 18.703

The binding sites of Chlorine atom in the Haloalkane Dehalogenase with 1-Hexanol (pdb code 4c6h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Haloalkane Dehalogenase with 1-Hexanol, PDB code: 4c6h:

Chlorine binding site 1 out of 1 in the Haloalkane Dehalogenase with 1-Hexanol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Haloalkane Dehalogenase with 1-Hexanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1293 b:15.9 occ:1.00 O A:HOH2144 3.1 39.8 1.0 NE1 A:TRP107 3.2 14.0 1.0 ND2 A:ASN36 3.4 14.0 1.0 CAD A:HE21295 3.5 27.5 0.5 N A:PRO207 3.6 13.7 1.0 CA A:PRO207 3.7 13.3 1.0 CD1 A:TRP107 3.7 11.3 1.0 CZ A:PHE168 3.7 16.5 1.0 CD A:PRO207 3.7 14.1 1.0 C A:PHE206 3.8 13.5 1.0 CB A:PHE206 3.9 12.0 1.0 CE2 A:PHE150 3.9 16.1 1.0 CE2 A:PHE168 4.0 15.3 1.0 CZ A:PHE150 4.0 16.8 1.0 O A:PHE206 4.0 14.8 1.0 CB A:ASN36 4.0 13.5 1.0 CB A:PRO207 4.1 14.0 1.0 CG A:ASN36 4.2 13.2 1.0 CG2 A:VAL210 4.3 14.7 1.0 CAF A:HE21295 4.3 30.6 0.5 CAD A:HE21295 4.3 33.2 0.5 CG A:PRO207 4.3 18.0 1.0 CA A:PHE206 4.5 13.6 1.0 CE2 A:TRP107 4.5 12.7 1.0 OAB A:HE21295 4.5 31.7 0.5 CAG A:HE21295 4.7 29.8 0.5 CE1 A:PHE168 4.7 17.5 1.0 OD2 A:ASP106 4.8 14.5 1.0 O A:HOH2041 4.8 37.6 1.0 CAG A:HE21295 4.9 27.1 0.5 CG A:PHE206 4.9 12.6 1.0 CAF A:HE21295 4.9 31.3 0.5

H.R.Novak, C.Sayer, M.N.Isupov, D.Gotz, A.M.Spragg, J.A.Littlechild. Biochemical and Structural Characterisation of A Haloalkane Dehalogenase From A Marine Rhodobacteraceae. Febs Lett. V. 588 1616 2014.
ISSN: ISSN 0014-5793
PubMed: 24613925
DOI: 10.1016/J.FEBSLET.2014.02.056