Chlorine in PDB 3zbk: Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123A Mutant.

All present enzymatic activity of Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123A Mutant.:
2.3.1.16;

The structure of Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123A Mutant., PDB code: 3zbk 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)	106.75 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	123.266, 123.266, 132.936, 90.00, 90.00, 120.00
R / Rfree (%)	22.053 / 25.888

The binding sites of Chlorine atom in the Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123A Mutant. (pdb code 3zbk). 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 C123A Mutant., PDB code: 3zbk:
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 C123A 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 C123A Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1446 b:16.6 occ:1.00 N A:GLY428 3.0 12.7 1.0 N A:ALA123 3.2 11.7 1.0 O A:HOH2149 3.3 24.2 1.0 O A:HOH2325 3.3 23.1 1.0 CB A:ALA123 3.4 11.8 1.0 CB A:ALA122 3.5 10.3 1.0 CA A:GLY428 3.6 14.8 1.0 CB A:ALA168 3.7 10.7 1.0 O A:HOH2307 3.8 20.6 1.0 CA A:ALA123 3.8 12.2 1.0 O A:HOH2306 4.0 10.8 1.0 CZ A:PHE182 4.1 23.2 1.0 C A:ALA122 4.1 11.6 1.0 C A:GLY427 4.1 14.2 1.0 CA A:GLY427 4.2 13.7 1.0 CA A:ALA122 4.3 11.7 1.0 CE2 A:PHE182 4.3 25.4 1.0 CE1 A:PHE182 4.5 25.7 1.0 CE2 A:PHE81 4.6 12.0 1.0 C A:GLY428 4.7 14.6 1.0 O A:GLY428 4.8 17.4 1.0 CD2 A:PHE182 4.8 25.8 1.0 O A:MET426 4.9 15.1 1.0 CA A:ALA168 4.9 11.3 1.0 CD1 A:PHE182 5.0 23.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of SCP2 Thiolase From Leishmania Mexicana: the C123A 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 C123A Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1445 b:14.6 occ:1.00 O B:HOH2296 3.0 20.2 1.0 N B:GLY428 3.1 11.0 1.0 O B:HOH2136 3.2 23.8 1.0 N B:ALA123 3.3 10.9 1.0 CB B:ALA123 3.4 11.0 1.0 O B:HOH2308 3.5 31.2 1.0 CB B:ALA122 3.6 9.2 1.0 CB B:ALA168 3.6 8.8 1.0 O B:HOH2278 3.6 18.7 1.0 CA B:GLY428 3.6 12.2 1.0 CA B:ALA123 3.9 10.8 1.0 C B:GLY427 4.1 10.3 1.0 CA B:GLY427 4.2 10.0 1.0 C B:ALA122 4.3 10.0 1.0 CA B:ALA122 4.4 9.5 1.0 C B:GLY428 4.7 12.8 1.0 O B:HOH2100 4.7 32.3 1.0 CE2 B:PHE81 4.7 9.2 1.0 O B:GLY428 4.7 13.4 1.0 O B:HOH2067 4.9 25.6 1.0 CZ B:PHE182 4.9 22.5 1.0 O B:MET426 5.0 13.4 1.0 CE1 B:PHE182 5.0 21.6 1.0

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