Chlorine in PDB 2no5: Crystal Structure Analysis of A Dehalogenase with Intermediate Complex

All present enzymatic activity of Crystal Structure Analysis of A Dehalogenase with Intermediate Complex:
3.8.1.2;

The structure of Crystal Structure Analysis of A Dehalogenase with Intermediate Complex, PDB code: 2no5 was solved by J.W.Schmidberger, M.C.J.Wilce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.24 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.743, 103.743, 134.794, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 25.2

The binding sites of Chlorine atom in the Crystal Structure Analysis of A Dehalogenase with Intermediate Complex (pdb code 2no5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure Analysis of A Dehalogenase with Intermediate Complex, PDB code: 2no5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure Analysis of A Dehalogenase with Intermediate Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of A Dehalogenase with Intermediate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl232 b:76.9 occ:1.00 CE1 A:HIS56 3.8 30.7 1.0 NE2 A:HIS56 4.3 30.1 1.0 O A:THR53 4.4 29.0 1.0 NH2 A:ARG156 4.5 25.2 1.0 OD2 A:ASP154 4.5 30.6 1.0 OD2 B:ASP154 4.5 30.8 1.0 O A:HOH1038 4.6 30.1 1.0 ND1 A:HIS56 4.7 32.8 1.0 CD2 B:LEU54 4.7 22.2 1.0 CA A:LEU54 4.9 26.4 1.0 O A:LEU54 4.9 27.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure Analysis of A Dehalogenase with Intermediate Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of A Dehalogenase with Intermediate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1015 b:68.2 occ:1.00 CL A:CNR1015 0.0 68.2 1.0 C2 A:CNR1015 1.9 67.3 1.0 C3 A:CNR1015 2.9 66.1 1.0 C1 A:CNR1015 2.9 65.2 1.0 O1B A:CNR1015 3.1 65.1 1.0 N A:ALA179 3.3 31.2 1.0 CA A:ASN178 3.5 30.2 1.0 C A:ASN178 3.9 31.1 1.0 O1A A:CNR1015 4.0 63.9 1.0 CD1 A:TRP180 4.0 29.7 1.0 O A:SER177 4.1 29.2 1.0 CB A:ASN178 4.1 32.8 1.0 NH1 B:ARG44 4.2 24.7 1.0 CB A:ALA179 4.2 30.4 1.0 OD1 A:ASN178 4.3 35.1 1.0 NE1 A:TRP180 4.3 28.9 1.0 CA A:ALA179 4.3 31.5 1.0 OE2 A:GLU203 4.6 40.0 1.0 N A:ASN178 4.7 26.9 1.0 CG A:ASN178 4.7 33.0 1.0 NH2 A:ARG194 4.7 42.2 1.0 N A:TRP180 4.8 31.9 1.0 C A:SER177 4.8 30.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure Analysis of A Dehalogenase with Intermediate Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of A Dehalogenase with Intermediate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1014 b:95.1 occ:1.00 CL B:CNR1014 0.0 95.1 1.0 C2 B:CNR1014 1.8 92.1 1.0 C3 B:CNR1014 2.7 91.8 1.0 C1 B:CNR1014 2.8 90.9 1.0 O1B B:CNR1014 3.0 89.1 1.0 OG B:SER38 3.3 39.5 1.0 CD2 B:HIS20 3.5 53.8 1.0 O1A B:CNR1014 3.8 89.3 1.0 NE2 B:HIS20 3.8 54.2 1.0 CG B:HIS20 4.1 52.3 1.0 O B:SER38 4.1 38.2 1.0 C B:SER38 4.2 37.2 1.0 O B:HOH1060 4.3 65.0 1.0 CG2 B:VAL19 4.3 47.3 1.0 CB B:SER38 4.3 35.7 1.0 CA B:HIS20 4.5 47.6 1.0 CB B:ARG42 4.5 38.0 1.0 CE1 B:HIS20 4.5 53.2 1.0 N B:MET39 4.5 38.2 1.0 ND1 B:HIS20 4.6 53.7 1.0 CA B:MET39 4.7 40.0 1.0 CB B:HIS20 4.7 49.1 1.0 CA B:SER38 4.8 35.3 1.0 N B:HIS20 4.8 48.1 1.0 CG B:ARG42 5.0 40.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure Analysis of A Dehalogenase with Intermediate Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Analysis of A Dehalogenase with Intermediate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1016 b:77.1 occ:1.00 CL B:CNR1016 0.0 77.1 1.0 C2 B:CNR1016 1.8 75.2 1.0 C3 B:CNR1016 2.7 74.2 1.0 C1 B:CNR1016 2.9 75.1 1.0 O1B B:CNR1016 3.2 72.8 1.0 OE2 B:GLU203 3.3 27.5 1.0 NH1 A:ARG44 3.4 33.0 1.0 CD1 B:TRP180 3.4 23.1 1.0 OE2 A:GLU47 3.5 32.5 1.0 N B:ALA179 3.7 35.1 1.0 CB B:ALA179 3.8 33.5 1.0 N B:TRP180 3.9 29.9 1.0 O1A B:CNR1016 4.0 73.4 1.0 CD B:GLU203 4.1 30.7 1.0 CZ A:ARG44 4.1 32.2 1.0 NE1 B:TRP180 4.1 21.7 1.0 OE1 B:GLU203 4.2 28.7 1.0 CA B:ALA179 4.2 33.0 1.0 CG B:TRP180 4.4 23.9 1.0 C B:ASN178 4.5 35.1 1.0 C B:ALA179 4.5 31.7 1.0 CD A:GLU47 4.5 29.7 1.0 NE A:ARG44 4.5 31.2 1.0 OE1 A:GLU47 4.5 31.0 1.0 CB B:TRP180 4.6 25.0 1.0 CE1 B:TYR204 4.7 29.8 1.0 CA B:ASN178 4.8 33.5 1.0 CA B:TRP180 4.8 28.4 1.0 NH2 A:ARG44 4.9 30.2 1.0 O B:HOH1029 4.9 38.0 1.0

J.W.Schmidberger, J.A.Wilce, J.S.H.Tsang, M.C.J.Wilce. Crystal Structures of the Substrate Free-Enzyme, and Reaction Intermediate of the Had Superfamily Member, Haloacid Dehalogenase Dehiva From Burkholderia Cepacia MBA4 J.Mol.Biol. V. 368 706 2007.
ISSN: ISSN 0022-2836
PubMed: 17368477
DOI: 10.1016/J.JMB.2007.02.015