Chlorine in PDB 3a2m: Crystal Structure of Dbja (Wild Type Type I)

All present enzymatic activity of Crystal Structure of Dbja (Wild Type Type I):
3.8.1.5;

The structure of Crystal Structure of Dbja (Wild Type Type I), PDB code: 3a2m was solved by Y.Sato, T.Senda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.70 / 1.84
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.577, 48.866, 106.580, 90.00, 97.36, 90.00
R / Rfree (%)	15.4 / 18.7

The binding sites of Chlorine atom in the Crystal Structure of Dbja (Wild Type Type I) (pdb code 3a2m). 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 Dbja (Wild Type Type I), PDB code: 3a2m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Dbja (Wild Type Type I)


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 Dbja (Wild Type Type I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:14.5 occ:1.00 O A:HOH766 3.1 24.0 1.0 NE1 A:TRP104 3.3 11.4 1.0 N A:PRO214 3.4 11.5 1.0 ND2 A:ASN38 3.4 10.2 1.0 CA A:PRO214 3.5 12.1 1.0 CD A:PRO214 3.6 12.8 1.0 C A:PHE213 3.6 11.5 1.0 CZ A:PHE176 3.8 14.1 1.0 CD1 A:TRP104 3.8 11.1 1.0 CB A:PHE213 3.8 11.2 1.0 CB A:PRO214 3.9 13.0 1.0 O A:PHE213 4.0 11.6 1.0 CE1 A:PHE176 4.0 14.0 1.0 CB A:ASN38 4.1 9.8 1.0 CE2 A:PHE157 4.1 13.1 1.0 CD1 A:LEU217 4.1 14.4 1.0 CG A:ASN38 4.3 10.6 1.0 CG A:PRO214 4.3 11.9 1.0 CA A:PHE213 4.4 11.2 1.0 CG A:LEU217 4.4 13.1 1.0 CE2 A:TRP104 4.5 10.6 1.0 CD2 A:LEU217 4.6 13.5 1.0 CG A:PHE213 4.8 9.5 1.0 O A:HOH803 4.8 30.6 1.0 CE2 A:PHE176 4.8 13.9 1.0 CZ A:PHE157 4.9 13.6 1.0 OD2 A:ASP103 4.9 10.8 1.0 C A:PRO214 5.0 11.8 1.0 CD2 A:PHE157 5.0 14.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Dbja (Wild Type Type I)


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 Dbja (Wild Type Type I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:17.9 occ:1.00 O B:HOH773 3.0 23.8 1.0 NE1 B:TRP104 3.3 14.7 1.0 N B:PRO214 3.4 15.4 1.0 ND2 B:ASN38 3.5 15.7 1.0 CA B:PRO214 3.6 15.7 1.0 CD B:PRO214 3.6 14.5 1.0 C B:PHE213 3.7 15.3 1.0 CB B:PHE213 3.7 15.2 1.0 CZ B:PHE176 3.7 16.9 1.0 CD1 B:TRP104 3.8 15.8 1.0 CB B:PRO214 4.0 15.2 1.0 O B:PHE213 4.0 15.9 1.0 CB B:ASN38 4.1 13.3 1.0 CE1 B:PHE176 4.1 19.3 1.0 CE2 B:PHE157 4.1 14.8 1.0 CG B:ASN38 4.3 14.2 1.0 CG B:PRO214 4.3 15.9 1.0 CD1 B:LEU217 4.3 17.3 1.0 CA B:PHE213 4.4 15.6 1.0 CG B:LEU217 4.4 17.0 1.0 CD2 B:LEU217 4.4 16.8 1.0 CE2 B:TRP104 4.5 13.3 1.0 CE2 B:PHE176 4.7 18.0 1.0 CG B:PHE213 4.7 14.8 1.0 O B:HOH954 4.8 35.7 1.0 C B:PRO214 5.0 15.9 1.0 CZ B:PHE157 5.0 15.8 1.0 CD2 B:PHE157 5.0 15.3 1.0

Z.Prokop, Y.Sato, J.Brezovsky, T.Mozga, R.Chaloupkova, T.Koudelakova, P.Jerabek, V.Stepankova, R.Natsume, J.G.Van Leeuwen, D.B.Janssen, J.Florian, Y.Nagata, T.Senda, J.Damborsky. Enantioselectivity of Haloalkane Dehalogenases and Its Modulation By Surface Loop Engineering Angew.Chem.Int.Ed.Engl. V. 49 6111 2010.
ISSN: ISSN 1433-7851
PubMed: 20645368
DOI: 10.1002/ANIE.201001753