Chlorine in PDB 4wdq: Crystal Structure of Haloalkane Dehalogenase LINB32 Mutant (L177W) From Sphingobium Japonicum UT26

All present enzymatic activity of Crystal Structure of Haloalkane Dehalogenase LINB32 Mutant (L177W) From Sphingobium Japonicum UT26:
3.8.1.5;

The structure of Crystal Structure of Haloalkane Dehalogenase LINB32 Mutant (L177W) From Sphingobium Japonicum UT26, PDB code: 4wdq was solved by O.Degtjarik, P.Rezacova, R.Chaloupkova, J.Damborsky, I.Kuta-Smatanova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.49 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.729, 68.490, 81.055, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.6

The structure of Crystal Structure of Haloalkane Dehalogenase LINB32 Mutant (L177W) From Sphingobium Japonicum UT26 also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Haloalkane Dehalogenase LINB32 Mutant (L177W) From Sphingobium Japonicum UT26 (pdb code 4wdq). 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 LINB32 Mutant (L177W) From Sphingobium Japonicum UT26, PDB code: 4wdq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Haloalkane Dehalogenase LINB32 Mutant (L177W) From Sphingobium Japonicum UT26


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 LINB32 Mutant (L177W) From Sphingobium Japonicum UT26 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:7.3 occ:1.00 O A:HOH552 3.1 13.9 1.0 NE1 A:TRP109 3.3 5.6 1.0 N A:PRO208 3.4 5.6 1.0 ND2 A:ASN38 3.4 5.1 1.0 CA A:PRO208 3.5 6.2 1.0 CZ A:PHE169 3.6 6.1 1.0 CD A:PRO208 3.6 6.0 1.0 C A:TRP207 3.7 5.8 1.0 CD1 A:TRP109 3.8 4.3 1.0 CE2 A:PHE169 3.8 8.4 1.0 CB A:TRP207 3.8 5.0 1.0 CB A:PRO208 3.8 6.5 1.0 CD1 A:ILE211 3.9 6.6 1.0 CB A:ASN38 4.0 6.6 1.0 O A:TRP207 4.0 6.4 1.0 CG A:ASN38 4.2 5.4 1.0 CE2 A:PHE151 4.2 7.3 1.0 CG1 A:ILE211 4.3 6.1 1.0 CG A:PRO208 4.4 5.9 1.0 CA A:TRP207 4.4 5.7 1.0 CE2 A:TRP109 4.5 5.7 1.0 CE1 A:PHE169 4.7 7.2 1.0 O A:HOH716 4.7 11.9 1.0 C A:PRO208 4.9 6.7 1.0 CG A:TRP207 4.9 5.4 1.0 OD2 A:ASP108 4.9 6.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Haloalkane Dehalogenase LINB32 Mutant (L177W) From Sphingobium Japonicum UT26


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 LINB32 Mutant (L177W) From Sphingobium Japonicum UT26 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:11.9 occ:1.00 O A:HOH961 2.8 34.6 1.0 O A:HOH607 2.9 20.6 1.0 N A:ALA218 3.2 9.1 1.0 OG1 A:THR216 3.3 14.5 1.0 O A:HOH732 3.5 21.8 1.0 CA A:PRO217 3.8 8.4 1.0 CB A:ALA218 3.9 8.8 1.0 C A:PRO217 4.0 8.4 1.0 CB A:THR216 4.1 10.9 1.0 CA A:ALA218 4.2 8.7 1.0 CA A:THR216 4.4 9.6 1.0 CB A:PRO217 4.6 9.0 1.0 O A:GLY215 4.7 8.9 1.0 N A:PRO217 4.9 8.8 1.0 O A:HOH679 4.9 42.2 1.0

O.Degtjarik, P.Rezacova, R.Chaloupkova, J.Damborsky, I.Kuta-Smatanova. Crystal Structure of Haloalkane Dehalogenase Linb Mutant (L177W) From Sphingobium Japonicum UT26 Acs Catalysis 2016.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.6B02081