Chlorine in PDB 2dhd: Crystallographic Analysis of the Catalytic Mechanism of Haloalkane Dehalogenase

All present enzymatic activity of Crystallographic Analysis of the Catalytic Mechanism of Haloalkane Dehalogenase:
3.8.1.5;

The structure of Crystallographic Analysis of the Catalytic Mechanism of Haloalkane Dehalogenase, PDB code: 2dhd was solved by K.H.G.Verschueren, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.13
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.800, 72.800, 41.400, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

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

Chlorine binding site 1 out of 2 in the Crystallographic Analysis of the Catalytic Mechanism of Haloalkane Dehalogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Analysis of the Catalytic Mechanism of Haloalkane Dehalogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl124 b:10.0 occ:0.27 CL A:0AK124 0.0 10.0 0.3 C2 A:0AK124 1.7 10.0 1.0 C1 A:0AK124 2.6 10.0 0.4 O A:HOH414 3.2 10.0 1.0 CL A:CL552 3.3 10.0 0.9 CE1 A:PHE172 3.5 3.7 1.0 NE1 A:TRP175 3.6 3.3 1.0 CD1 A:PHE172 3.6 4.1 1.0 OD2 A:0AK124 3.8 10.0 0.9 CD2 A:LEU262 3.8 7.8 1.0 CE2 A:TRP175 4.1 3.2 1.0 CG2 A:VAL226 4.1 1.9 1.0 CD1 A:TRP175 4.3 3.4 1.0 CZ2 A:TRP175 4.4 1.1 1.0 CE2 A:PHE128 4.4 4.9 1.0 CZ A:PHE128 4.4 5.1 1.0 CG A:0AK124 4.5 10.0 1.0 OD1 A:0AK124 4.6 10.0 1.0 CZ A:PHE172 4.8 4.2 1.0 CE2 A:PHE164 4.9 4.9 1.0 CG A:PHE172 4.9 4.2 1.0 CG A:LEU262 4.9 7.0 1.0 NE2 A:HIS289 4.9 1.0 1.0 CD2 A:TRP175 4.9 3.0 1.0 CG1 A:VAL226 4.9 3.6 1.0 CE1 A:HIS289 5.0 1.3 1.0

Chlorine binding site 2 out of 2 in the Crystallographic Analysis of the Catalytic Mechanism of Haloalkane Dehalogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic Analysis of the Catalytic Mechanism of Haloalkane Dehalogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl552 b:10.0 occ:0.92 NE1 A:TRP175 3.2 3.3 1.0 C2 A:0AK124 3.3 10.0 1.0 CL A:0AK124 3.3 10.0 0.3 CA A:PRO223 3.4 5.9 1.0 N A:PRO223 3.5 5.2 1.0 NE1 A:TRP125 3.5 1.0 1.0 CG A:GLU56 3.6 3.4 1.0 CB A:GLU56 3.7 2.5 1.0 CB A:PRO223 3.8 6.3 1.0 C A:PHE222 3.8 6.5 1.0 CD1 A:TRP125 3.8 1.7 1.0 CG A:PRO223 3.9 5.9 1.0 CG2 A:VAL226 3.9 1.9 1.0 CD A:PRO223 3.9 4.5 1.0 O A:PHE222 4.1 7.8 1.0 CE1 A:PHE172 4.1 3.7 1.0 CE2 A:TRP175 4.1 3.2 1.0 CD1 A:TRP175 4.2 3.4 1.0 CB A:PHE222 4.2 3.5 1.0 C1 A:0AK124 4.3 10.0 0.4 CZ2 A:TRP175 4.4 1.1 1.0 CD A:GLU56 4.5 6.2 1.0 OE2 A:GLU56 4.6 6.2 1.0 CA A:PHE222 4.7 5.2 1.0 C A:PRO223 4.7 6.5 1.0 OD1 A:0AK124 4.8 10.0 1.0 CE2 A:TRP125 4.8 2.0 1.0 CZ A:PHE172 4.8 4.2 1.0 CB A:VAL226 4.9 4.1 1.0 O A:PRO223 5.0 8.1 1.0

K.H.Verschueren, F.Seljee, H.J.Rozeboom, K.H.Kalk, B.W.Dijkstra. Crystallographic Analysis of the Catalytic Mechanism of Haloalkane Dehalogenase. Nature V. 363 693 1993.
ISSN: ISSN 0028-0836
PubMed: 8515812
DOI: 10.1038/363693A0