Chlorine in PDB 3zbl: Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant.

All present enzymatic activity of Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant.:
2.3.1.16;

The structure of Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant., PDB code: 3zbl was solved by R.K.Harijan, T.-R.Kiema, M.S.Weiss, P.A.M.Michels, R.K.Wierenga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	106.76 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	123.274, 123.274, 133.012, 90.00, 90.00, 120.00
R / Rfree (%)	18.884 / 22.188

The binding sites of Chlorine atom in the Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant. (pdb code 3zbl). 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 SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant., PDB code: 3zbl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant.


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 SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1442 b:22.9 occ:1.00 OG A:SER123 3.0 13.7 1.0 N A:GLY428 3.1 13.8 1.0 N A:SER123 3.3 13.0 1.0 CB A:SER123 3.3 13.5 1.0 O A:HOH2152 3.4 35.7 1.0 CB A:ALA122 3.6 12.1 1.0 CB A:ALA168 3.6 13.7 1.0 O A:HOH2115 3.6 20.2 1.0 CA A:GLY428 3.6 15.8 1.0 O A:HOH2334 3.7 20.8 1.0 CA A:SER123 3.9 12.8 1.0 C A:GLY427 4.1 14.4 1.0 O A:HOH2116 4.1 32.4 1.0 CZ A:PHE182 4.2 26.4 1.0 CA A:GLY427 4.2 14.2 1.0 C A:ALA122 4.3 12.2 1.0 CE2 A:PHE182 4.3 27.7 1.0 CA A:ALA122 4.4 12.3 1.0 CE1 A:PHE182 4.5 26.9 1.0 C A:GLY428 4.6 14.3 1.0 O A:GLY428 4.7 15.2 1.0 CD2 A:PHE182 4.8 28.0 1.0 CE2 A:PHE81 4.8 12.8 1.0 O A:MET426 4.8 15.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant.


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 SCP2 Thiolase From Leishmania Mexicana: the C123S Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1447 b:21.7 occ:1.00 OG B:SER123 3.0 10.4 1.0 N B:GLY428 3.1 11.4 1.0 N B:SER123 3.3 9.9 1.0 CB B:SER123 3.3 11.3 1.0 CB B:ALA122 3.5 9.5 1.0 O B:HOH2093 3.6 17.8 1.0 CB B:ALA168 3.7 10.7 1.0 O B:HOH2275 3.8 21.0 1.0 CA B:GLY428 3.8 12.3 1.0 O B:HOH2094 3.9 33.1 1.0 CA B:SER123 3.9 10.6 1.0 C B:GLY427 4.2 10.6 1.0 CA B:GLY427 4.2 10.6 1.0 C B:ALA122 4.2 9.9 1.0 CZ B:PHE182 4.3 13.6 0.5 CE2 B:PHE182 4.3 13.5 0.5 CA B:ALA122 4.4 9.7 1.0 CE1 B:PHE182 4.7 13.5 0.5 C B:GLY428 4.8 12.1 1.0 O B:MET426 4.8 13.4 1.0 CD2 B:PHE182 4.8 14.2 0.5 O B:GLY428 4.8 13.0 1.0 CE2 B:PHE81 4.8 11.4 1.0 CZ B:PHE182 4.9 13.8 0.5 CE1 B:PHE182 5.0 14.3 0.5

R.K.Harijan, T.-R.Kiema, M.P.Karjalainen, N.Janardan, M.R.N.Murthy, M.S.Weiss, P.A.M.Michels, R.K.Wierenga. Crystal Structures of SCP2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: the Importance For Catalysis of the Cysteine of the Unique Hdcf Loop. Biochem.J. V. 455 119 2013.
ISSN: ISSN 0264-6021
PubMed: 23909465
DOI: 10.1042/BJ20130669