Chlorine in PDB 1qq7: Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloropropionic Acid Covalently Bound

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

The structure of Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloropropionic Acid Covalently Bound, PDB code: 1qq7 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 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.751, 83.833, 90.809, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 19.9

The binding sites of Chlorine atom in the Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloropropionic Acid Covalently Bound (pdb code 1qq7). 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 Chloropropionic Acid Covalently Bound, PDB code: 1qq7:
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 Chloropropionic 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 Chloropropionic Acid Covalently Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1401 b:14.6 occ:1.00 NH1 A:ARG39 3.3 13.6 1.0 ND2 A:ASN115 3.3 12.6 1.0 NH2 A:ARG39 3.4 11.8 1.0 C1 A:ASB8 3.5 12.9 1.0 C2 A:ASB8 3.6 11.8 1.0 CD2 A:TYR10 3.7 13.8 1.0 O2 A:ASB8 3.7 13.5 1.0 O1 A:ASB8 3.8 12.8 1.0 CZ A:ARG39 3.8 13.2 1.0 CZ A:PHE58 3.8 15.9 1.0 CD2 A:LEU43 3.9 11.3 1.0 CB A:TYR10 3.9 14.6 1.0 CB A:ASN115 4.1 12.1 1.0 CG A:ASN115 4.2 12.3 1.0 CG A:TYR10 4.2 13.6 1.0 CE1 A:PHE58 4.4 14.7 1.0 CE2 A:PHE58 4.5 16.9 1.0 CE2 A:TYR10 4.7 13.9 1.0 CZ A:PHE175 4.7 12.0 1.0 O A:TYR10 4.8 14.0 1.0 CA A:TYR10 5.0 13.4 1.0

Chlorine binding site 2 out of 2 in the Structure of L-2-Haloacid Dehalogenase From Xanthobacter Autotrophicus with Chloropropionic 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 Chloropropionic Acid Covalently Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1402 b:13.9 occ:1.00 NH1 B:ARG39 3.3 13.5 1.0 ND2 B:ASN115 3.3 12.9 1.0 NH2 B:ARG39 3.4 13.0 1.0 C1 B:ASB8 3.5 14.0 1.0 C2 B:ASB8 3.6 13.8 1.0 CD2 B:TYR10 3.7 12.6 1.0 O2 B:ASB8 3.7 12.1 1.0 CZ B:ARG39 3.8 13.6 1.0 CZ B:PHE58 3.8 14.1 1.0 CD2 B:LEU43 3.9 10.8 1.0 CB B:TYR10 3.9 12.4 1.0 O1 B:ASB8 3.9 14.1 1.0 CB B:ASN115 4.1 13.0 1.0 CG B:ASN115 4.2 13.1 1.0 CG B:TYR10 4.2 12.6 1.0 CE2 B:PHE58 4.4 15.5 1.0 CE1 B:PHE58 4.5 14.7 1.0 CZ B:PHE175 4.7 12.4 1.0 CE2 B:TYR10 4.7 13.5 1.0 O B:TYR10 4.8 13.7 1.0 CA B:TYR10 5.0 13.1 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