Chlorine in PDB 1qq6: Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound

All present enzymatic activity of Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound:
3.8.1.2;

The structure of Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound, PDB code: 1qq6 was solved by I.S.Ridder, H.J.Rozeboom, K.H.Kalk, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.925, 83.556, 91.056, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.9

The binding sites of Chlorine atom in the Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound (pdb code 1qq6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound, PDB code: 1qq6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:16.0 occ:1.00 NH1 A:ARG39 3.3 8.9 1.0 ND2 A:ASN115 3.3 12.2 1.0 NH2 A:ARG39 3.4 8.9 1.0 C1 A:ASB8 3.5 15.4 1.0 C2 A:ASB8 3.6 14.5 1.0 O2 A:ASB8 3.6 14.9 1.0 CD2 A:LEU43 3.8 6.6 1.0 CZ A:ARG39 3.8 10.6 1.0 CD2 A:TYR10 3.9 12.3 1.0 O1 A:ASB8 3.9 16.1 1.0 CB A:TYR10 4.0 14.2 1.0 CZ A:PHE58 4.1 14.2 1.0 CZ A:PHE175 4.1 9.7 1.0 CG A:ASN115 4.3 13.8 1.0 CB A:ASN115 4.3 13.9 1.0 CG A:TYR10 4.4 13.8 1.0 O A:TYR10 4.6 16.3 1.0 CE2 A:PHE58 4.8 13.8 1.0 CE1 A:PHE58 4.8 14.5 1.0 CE1 A:PHE175 4.9 9.1 1.0 CG A:LEU43 4.9 8.2 1.0 CE2 A:TYR10 4.9 11.7 1.0 ND2 A:ASN173 5.0 10.2 1.0 OD1 A:ASB8 5.0 17.2 1.0

Chlorine binding site 2 out of 2 in the Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloroacetic Acid Covalently Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:12.8 occ:1.00 NH1 B:ARG39 3.3 11.1 1.0 ND2 B:ASN115 3.3 11.9 1.0 NH2 B:ARG39 3.4 11.6 1.0 C1 B:ASB8 3.5 16.7 1.0 C2 B:ASB8 3.5 15.0 1.0 O2 B:ASB8 3.7 17.1 1.0 CZ B:ARG39 3.8 12.4 1.0 CD2 B:TYR10 3.8 14.1 1.0 CD2 B:LEU43 3.8 6.1 1.0 CB B:TYR10 3.9 14.2 1.0 O1 B:ASB8 4.0 15.5 1.0 CZ B:PHE58 4.1 14.2 1.0 CZ B:PHE175 4.2 10.5 1.0 CG B:TYR10 4.3 13.9 1.0 CG B:ASN115 4.3 13.9 1.0 CB B:ASN115 4.4 14.6 1.0 CE2 B:PHE58 4.6 14.7 1.0 O B:TYR10 4.8 16.5 1.0 ND2 B:ASN173 4.8 9.8 1.0 CE2 B:TYR10 4.9 14.6 1.0 CE1 B:PHE58 4.9 12.9 1.0 OD1 B:ASB8 4.9 15.2 1.0 CE1 B:PHE175 5.0 9.4 1.0 CA B:TYR10 5.0 15.1 1.0

I.S.Ridder, H.J.Rozeboom, K.H.Kalk, B.W.Dijkstra. Crystal Structures of Intermediates in the Dehalogenation of Haloalkanoates By L-2-Haloacid Dehalogenase. J.Biol.Chem. V. 274 30672 1999.
ISSN: ISSN 0021-9258
PubMed: 10521454
DOI: 10.1074/JBC.274.43.30672