Chlorine in PDB 4brz: Haloalkane Dehalogenase

The structure of Haloalkane Dehalogenase, PDB code: 4brz was solved by H.R.Novak, C.Sayer, M.Isupov, D.Gotz, A.M.Spragg, J.A.Littlechild, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.40 / 1.67
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.970, 75.520, 64.870, 90.00, 92.94, 90.00
R / Rfree (%)	20.486 / 24.6

The binding sites of Chlorine atom in the Haloalkane Dehalogenase (pdb code 4brz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Haloalkane Dehalogenase, PDB code: 4brz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Haloalkane Dehalogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Haloalkane Dehalogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1293 b:30.2 occ:1.00 NE1 A:TRP107 3.3 18.8 1.0 O A:HOH2122 3.3 36.2 1.0 ND2 A:ASN36 3.5 19.3 1.0 CD1 A:TRP107 3.6 19.6 1.0 CZ A:PHE168 3.7 26.2 1.0 N A:PRO207 3.7 18.8 1.0 CZ A:PHE150 3.7 23.2 1.0 CE2 A:PHE150 3.9 26.1 1.0 CA A:PRO207 3.9 20.9 1.0 CD A:PRO207 3.9 19.0 1.0 C A:PHE206 3.9 19.1 1.0 CB A:PHE206 3.9 17.2 1.0 CB A:ASN36 4.0 17.3 1.0 CE2 A:PHE168 4.1 22.1 1.0 O A:PHE206 4.2 20.3 1.0 CG A:ASN36 4.3 17.9 1.0 CG2 A:VAL210 4.4 23.3 1.0 CB A:PRO207 4.4 20.2 1.0 CG A:PRO207 4.5 17.7 1.0 CA A:PHE206 4.5 18.3 1.0 CE2 A:TRP107 4.6 18.6 1.0 CE1 A:PHE168 4.6 25.9 1.0 OD2 A:ASP106 4.7 18.2 1.0 O A:HOH2040 4.9 38.4 1.0 CG A:PHE206 4.9 15.6 1.0 CE1 A:PHE150 4.9 23.9 1.0 OD1 A:ASP106 5.0 30.5 1.0 CG A:TRP107 5.0 19.5 1.0

Chlorine binding site 2 out of 2 in the Haloalkane Dehalogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Haloalkane Dehalogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1293 b:36.2 occ:1.00 NE1 B:TRP107 3.3 28.6 1.0 O B:HOH2075 3.3 18.0 0.4 ND2 B:ASN36 3.4 21.6 1.0 N B:PRO207 3.5 28.1 1.0 CD1 B:TRP107 3.6 28.0 1.0 CD B:PRO207 3.7 31.6 1.0 CA B:PRO207 3.7 20.6 1.0 CZ B:PHE168 3.7 30.1 1.0 CZ B:PHE150 3.7 39.6 1.0 CE2 B:PHE150 3.8 33.6 1.0 C B:PHE206 3.8 26.9 1.0 CB B:ASN36 3.9 19.2 1.0 CB B:PHE206 4.0 30.9 1.0 CE2 B:PHE168 4.1 32.4 1.0 O B:HOH2026 4.1 40.2 1.0 CG B:ASN36 4.2 16.8 1.0 O B:PHE206 4.2 29.2 1.0 CG2 B:VAL210 4.2 35.6 1.0 CB B:PRO207 4.2 20.4 1.0 O B:HOH2074 4.3 30.1 0.6 CG B:PRO207 4.4 27.4 1.0 CA B:PHE206 4.5 32.6 1.0 CE2 B:TRP107 4.6 28.6 1.0 CE1 B:PHE168 4.7 34.0 1.0 OD2 B:ASP106 4.7 24.9 1.0 OD1 B:ASP106 4.7 37.2 1.0 CG B:TRP107 5.0 27.4 1.0 CG B:PHE206 5.0 25.5 1.0

H.R.Novak, C.Sayer, M.N.Isupov, D.Gotz, A.M.Spragg, J.A.Littlechild. Biochemical and Structural Characterisation of A Haloalkane Dehalogenase From A Marine Rhodobacteraceae. Febs Lett. V. 588 1616 2014.
ISSN: ISSN 0014-5793
PubMed: 24613925
DOI: 10.1016/J.FEBSLET.2014.02.056