Chlorine in PDB 2qvb: Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis:
3.8.1.5;

The structure of Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis, PDB code: 2qvb was solved by P.A.Mazumdar, J.Hulecki, M.M.Cherney, C.R.Garen, M.N.G.James, Tbstructural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.11 / 1.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.700, 65.700, 129.700, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 16

The binding sites of Chlorine atom in the Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis (pdb code 2qvb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis, PDB code: 2qvb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:11.2 occ:0.80 O A:HOH632 3.0 29.9 1.0 NE1 A:TRP110 3.3 8.0 1.0 N A:PRO209 3.4 6.9 1.0 ND2 A:ASN39 3.5 8.2 1.0 CA A:PRO209 3.5 7.5 1.0 CD A:PRO209 3.6 7.2 1.0 C A:TRP208 3.6 6.5 1.0 CD1 A:TRP110 3.7 7.0 1.0 CZ A:PHE170 3.7 9.4 1.0 CB A:TRP208 3.8 6.9 1.0 CB A:PRO209 3.8 8.0 1.0 CE2 A:PHE170 3.8 9.4 1.0 O A:TRP208 4.0 7.5 1.0 CD1 A:LEU212 4.0 9.4 1.0 CB A:ASN39 4.0 7.6 1.0 CG A:LEU212 4.2 8.2 1.0 CE1 A:PHE152 4.2 9.4 1.0 CG A:ASN39 4.3 7.5 1.0 CA A:TRP208 4.3 6.3 1.0 CG A:PRO209 4.3 8.2 1.0 CD2 A:LEU212 4.4 10.2 1.0 CE2 A:TRP110 4.5 7.8 1.0 CE1 A:PHE170 4.8 10.3 1.0 OD2 A:ASP109 4.8 9.2 1.0 O A:HOH633 4.8 25.8 1.0 C A:PRO209 4.9 7.0 1.0 CG A:TRP208 4.9 7.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Haloalkane Dehalogenase RV2579 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:11.6 occ:0.80 O B:HOH629 3.0 32.5 0.5 NE1 B:TRP110 3.3 7.9 1.0 N B:PRO209 3.4 6.8 1.0 OD1 B:ASN39 3.4 12.0 1.0 CA B:PRO209 3.5 7.5 1.0 CD B:PRO209 3.5 7.8 1.0 C B:TRP208 3.7 7.1 1.0 CD1 B:TRP110 3.7 7.7 1.0 CZ B:PHE170 3.7 9.5 1.0 CB B:TRP208 3.8 7.3 1.0 CB B:PRO209 3.9 7.5 1.0 CE2 B:PHE170 3.9 11.0 1.0 CB B:ASN39 4.0 7.4 1.0 O B:TRP208 4.0 8.4 1.0 CE1 B:PHE152 4.1 10.7 1.0 CD1 B:LEU212 4.2 10.8 1.0 CG B:ASN39 4.2 7.5 1.0 CG B:PRO209 4.3 7.7 1.0 CG B:LEU212 4.3 8.8 1.0 CA B:TRP208 4.4 6.7 1.0 CD2 B:LEU212 4.4 11.0 1.0 CE2 B:TRP110 4.6 7.6 1.0 O B:HOH630 4.7 24.1 0.5 OD2 B:ASP109 4.8 9.1 1.0 CE1 B:PHE170 4.8 10.2 1.0 C B:PRO209 4.9 7.6 1.0 CZ B:PHE152 5.0 11.5 1.0 OD1 B:ASP109 5.0 16.5 1.0 CG B:TRP208 5.0 7.6 1.0 CD1 B:PHE152 5.0 9.5 1.0

P.A.Mazumdar, J.C.Hulecki, M.M.Cherney, C.R.Garen, M.N.James. X-Ray Crystal Structure of Mycobacterium Tuberculosis Haloalkane Dehalogenase RV2579. Biochim.Biophys.Acta V.1784 351 2008.
ISSN: ISSN 0006-3002
PubMed: 18062934
DOI: 10.1016/J.BBAPAP.2007.10.014