Chlorine in PDB 4h77: Crystal Structure of Haloalkane Dehalogenase Linb From Sphingobium Sp. MI1205

All present enzymatic activity of Crystal Structure of Haloalkane Dehalogenase Linb From Sphingobium Sp. MI1205:
3.8.1.5;

The structure of Crystal Structure of Haloalkane Dehalogenase Linb From Sphingobium Sp. MI1205, PDB code: 4h77 was solved by M.Okai, J.Ohtsuka, F.L.Imai, T.Mase, R.Moriuchi, M.Tsuda, K.Nagata, Y.Nagata, M.Tanokura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	50.404, 72.146, 73.492, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19.1

The structure of Crystal Structure of Haloalkane Dehalogenase Linb From Sphingobium Sp. MI1205 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Haloalkane Dehalogenase Linb From Sphingobium Sp. MI1205 (pdb code 4h77). 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 Linb From Sphingobium Sp. MI1205, PDB code: 4h77:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Haloalkane Dehalogenase Linb From Sphingobium Sp. MI1205


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 Linb From Sphingobium Sp. MI1205 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:6.6 occ:1.00 NE1 A:TRP109 3.2 2.7 1.0 O A:HOH637 3.3 13.5 1.0 O A:HOH691 3.3 24.3 1.0 ND2 A:ASN38 3.5 3.4 1.0 N A:PRO208 3.5 3.4 1.0 CZ A:PHE169 3.6 3.9 1.0 CA A:PRO208 3.6 3.6 1.0 CD1 A:TRP109 3.7 2.5 1.0 CD A:PRO208 3.8 3.6 1.0 CD1 A:ILE211 3.8 5.6 1.0 C A:TRP207 3.9 3.4 1.0 CE2 A:PHE169 3.9 3.8 1.0 CB A:PRO208 4.0 3.9 1.0 CB A:TRP207 4.0 2.9 1.0 CB A:ASN38 4.0 4.5 1.0 CG1 A:ILE211 4.2 3.8 1.0 O A:TRP207 4.2 3.4 1.0 CE2 A:PHE151 4.2 3.9 1.0 CG A:ASN38 4.2 3.2 1.0 O A:HOH775 4.3 34.2 1.0 CG A:PRO208 4.5 3.8 1.0 CE2 A:TRP109 4.5 3.8 1.0 CE1 A:PHE169 4.6 3.4 1.0 CA A:TRP207 4.6 3.1 1.0 OD1 A:ASP108 4.9 5.0 1.0 O A:HOH653 5.0 24.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Haloalkane Dehalogenase Linb From Sphingobium Sp. MI1205


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 Linb From Sphingobium Sp. MI1205 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:4.4 occ:0.50 O A:HOH634 2.5 14.8 1.0 O A:HOH537 2.5 10.7 1.0 O A:HOH581 2.5 11.0 1.0 O A:HOH550 2.6 12.5 1.0 OD1 A:ASP30 4.2 3.8 1.0 O A:HOH685 4.3 18.8 1.0 OD1 A:ASP100 4.4 5.2 1.0 OD2 A:ASP30 4.4 5.9 1.0 CG A:ASP30 4.8 4.0 1.0 O A:HOH844 4.9 37.1 1.0

M.Okai, J.Ohtsuka, L.F.Imai, T.Mase, R.Moriuchi, M.Tsuda, K.Nagata, Y.Nagata, M.Tanokura. Crystal Structure and Site-Directed Mutagenesis Analyses of Haloalkane Dehalogenase Linb From Sphingobium Sp. Strain MI1205. J.Bacteriol. V. 195 2642 2013.
ISSN: ISSN 0021-9193
PubMed: 23564170
DOI: 10.1128/JB.02020-12