Chlorine in PDB 3rk4: Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Mutant DHAA31

All present enzymatic activity of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Mutant DHAA31:
3.8.1.5;

The structure of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Mutant DHAA31, PDB code: 3rk4 was solved by M.Lahoda, A.Stsiapanava, J.Mesters, R.Chaloupkova, J.Damborsky, I.Kutasmatanova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.31
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.551, 44.370, 46.411, 115.34, 98.56, 109.59
R / Rfree (%)	12.9 / 16

The binding sites of Chlorine atom in the Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Mutant DHAA31 (pdb code 3rk4). 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 Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Mutant DHAA31, PDB code: 3rk4:

Chlorine binding site 1 out of 1 in the Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Mutant DHAA31


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Rhodococcus Rhodochrous Haloalkane Dehalogenase Mutant DHAA31 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:11.8 occ:1.00 NE1 A:TRP107 3.3 5.4 1.0 ND2 A:ASN41 3.3 6.4 1.0 N A:PRO206 3.4 5.6 1.0 CA A:PRO206 3.6 6.2 1.0 CD A:PRO206 3.7 5.9 1.0 C A:PHE205 3.7 5.9 1.0 CD1 A:TRP107 3.8 5.5 1.0 CD1 A:LEU209 3.8 8.5 1.0 CB A:PHE205 3.8 6.2 1.0 CB A:PRO206 3.9 7.3 1.0 CZ A:PHE168 3.9 9.0 1.0 CB A:ASN41 4.0 5.3 1.0 O A:PHE205 4.0 6.4 1.0 CG A:ASN41 4.1 6.0 1.0 CG A:LEU209 4.1 7.4 1.0 CE2 A:PHE168 4.2 10.2 1.0 CG A:PRO206 4.3 7.5 1.0 CD2 A:LEU209 4.4 7.9 1.0 CA A:PHE205 4.4 5.8 1.0 CE2 A:PHE149 4.6 8.6 1.0 CE2 A:TRP107 4.6 4.8 1.0 OD2 A:ASP106 4.7 6.7 1.0 CE1 A:PHE168 4.8 8.3 1.0 OD1 A:ASP106 4.9 19.8 1.0 CG A:PHE205 4.9 6.2 1.0 C A:PRO206 5.0 5.9 1.0

M.Lahoda, J.R.Mesters, A.Stsiapanava, R.Chaloupkova, M.Kuty, J.Damborsky, I.Kuta Smatanova. Crystallographic Analysis of 1,2,3-Trichloropropane Biodegradation By the Haloalkane Dehalogenase DHAA31. Acta Crystallogr.,Sect.D V. 70 209 2014.
ISSN: ISSN 0907-4449
PubMed: 24531456
DOI: 10.1107/S1399004713026254