Chlorine in PDB 2oz5: Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts

The structure of Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts, PDB code: 2oz5 was solved by C.Grundner, C.L.Gee, T.Alber, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.396, 72.488, 96.064, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.9

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts (pdb code 2oz5). 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 of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts, PDB code: 2oz5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts


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 Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl277 b:11.0 occ:1.00 CLF A:7XY277 0.0 11.0 1.0 CBE A:7XY277 1.7 8.6 1.0 CAV A:7XY277 2.7 8.0 1.0 CAN A:7XY277 2.7 8.1 1.0 CD2 A:LEU101 3.5 13.2 1.0 CD2 A:LEU227 3.6 16.7 1.0 CG2 A:VAL231 3.7 14.0 1.0 CE1 A:PHE98 3.9 8.8 1.0 CBF A:7XY277 4.0 8.8 1.0 CAM A:7XY277 4.0 8.1 1.0 CE2 A:TYR125 4.0 12.5 1.0 CLF A:7XY278 4.1 14.8 1.0 O A:HOH385 4.2 21.0 1.0 CD1 A:PHE98 4.4 9.3 1.0 CAO A:7XY277 4.5 8.3 1.0 CG1 A:VAL231 4.7 14.0 1.0 CAL A:7XY277 4.7 10.4 1.0 CD2 A:TYR125 4.8 11.9 1.0 OH A:TYR125 4.8 9.8 1.0 CZ A:TYR125 4.8 10.9 1.0 CB A:VAL231 4.8 15.1 1.0 CZ A:PHE98 4.9 8.9 1.0 CG A:LEU101 5.0 15.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts


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 Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl278 b:14.8 occ:1.00 CLF A:7XY278 0.0 14.8 1.0 CBE A:7XY278 1.7 15.2 1.0 CAN A:7XY278 2.7 14.1 1.0 CAV A:7XY278 2.7 13.2 1.0 CD2 A:LEU227 3.7 16.7 1.0 CBE A:7XY277 3.7 8.6 1.0 CE1 A:PHE98 4.0 8.8 1.0 CAN A:7XY277 4.0 8.1 1.0 CAV A:7XY277 4.0 8.0 1.0 CBF A:7XY278 4.0 12.3 1.0 CAM A:7XY278 4.0 12.7 1.0 CD1 A:LEU227 4.0 15.0 1.0 CZ A:PHE98 4.1 8.9 1.0 CLF A:7XY277 4.1 11.0 1.0 CAH A:7XY277 4.3 11.2 1.0 CE A:MET206 4.4 16.5 1.0 CG A:LEU227 4.4 17.5 1.0 CAM A:7XY277 4.5 8.1 1.0 CD1 A:ILE203 4.5 12.2 1.0 CBF A:7XY277 4.5 8.8 1.0 CAO A:7XY278 4.5 12.0 1.0 CG2 A:ILE203 4.6 13.2 1.0 CG1 A:ILE203 4.7 12.2 1.0 CAO A:7XY277 4.7 8.3 1.0 CAL A:7XY277 4.8 10.4 1.0 CAH A:7XY278 5.0 16.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl277 b:9.6 occ:1.00 CLF B:7XY277 0.0 9.6 1.0 CBE B:7XY277 1.7 8.3 1.0 CAV B:7XY277 2.7 5.6 1.0 CAN B:7XY277 2.7 9.5 1.0 CD2 B:LEU101 3.5 14.5 1.0 CE1 B:PHE98 3.8 10.6 1.0 CE2 B:TYR125 3.9 9.7 1.0 CB B:VAL231 3.9 9.8 1.0 CG2 B:VAL231 3.9 10.6 1.0 CBF B:7XY277 4.0 7.7 1.0 CD2 B:LEU227 4.0 18.4 1.0 CAM B:7XY277 4.0 8.6 1.0 CD1 B:PHE98 4.3 9.6 1.0 CG1 B:VAL231 4.4 11.9 1.0 CZ B:TYR125 4.4 9.8 1.0 CLF B:7XY278 4.4 9.5 1.0 CD2 B:TYR125 4.5 10.1 1.0 OH B:TYR125 4.5 10.5 1.0 CAO B:7XY277 4.5 8.1 1.0 CAL B:7XY277 4.7 8.4 1.0 O B:VAL231 4.8 9.3 1.0 CZ B:PHE98 4.8 10.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb in Complex with the Specific Inhibitor Omts within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl278 b:9.5 occ:1.00 CLF B:7XY278 0.0 9.5 1.0 CBE B:7XY278 1.7 11.3 1.0 CAV B:7XY278 2.7 9.9 1.0 CAN B:7XY278 2.7 11.0 1.0 CE1 B:PHE98 3.9 10.6 1.0 CBE B:7XY277 3.9 8.3 1.0 CZ B:PHE98 3.9 10.5 1.0 CAN B:7XY277 3.9 9.5 1.0 CAL B:7XY278 4.0 11.3 1.0 CBF B:7XY278 4.0 10.9 1.0 CAM B:7XY278 4.1 9.8 1.0 CAV B:7XY277 4.2 5.6 1.0 CAH B:7XY277 4.2 8.5 1.0 CD1 B:ILE203 4.2 11.3 1.0 CAM B:7XY277 4.3 8.6 1.0 CG1 B:ILE203 4.3 10.6 1.0 CAH B:7XY278 4.3 11.4 1.0 CBF B:7XY277 4.4 7.7 1.0 CLF B:7XY277 4.4 9.6 1.0 CD1 B:LEU227 4.5 16.6 1.0 CAO B:7XY277 4.5 8.1 1.0 CAO B:7XY278 4.6 9.7 1.0 CG2 B:ILE203 4.6 10.7 1.0 CAS B:7XY278 4.6 12.7 1.0 CD2 B:LEU227 4.6 18.4 1.0 CAL B:7XY277 4.9 8.4 1.0

C.Grundner, D.Perrin, R.Hooft Van Huijsduijnen, D.Swinnen, J.Gonzalez, C.L.Gee, T.N.Wells, T.Alber. Structural Basis For Selective Inhibition of Mycobacterium Tuberculosis Protein Tyrosine Phosphatase Ptpb. Structure V. 15 499 2007.
ISSN: ISSN 0969-2126
PubMed: 17437721
DOI: 10.1016/J.STR.2007.03.003