Chlorine in PDB 3zuk: Crystal Structure of Mycobacterium Tuberculosis Zinc Metalloprotease ZMP1 in Complex with Inhibitor

The structure of Crystal Structure of Mycobacterium Tuberculosis Zinc Metalloprotease ZMP1 in Complex with Inhibitor, PDB code: 3zuk was solved by D.M.Ferraris, D.Sbardella, A.Petrera, S.Marini, B.Amstutz, M.Coletta, P.Sander, M.Rizzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.290, 198.770, 63.270, 90.00, 90.00, 90.00
R / Rfree (%)	17.509 / 24.964

The structure of Crystal Structure of Mycobacterium Tuberculosis Zinc Metalloprotease ZMP1 in Complex with Inhibitor also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Zinc Metalloprotease ZMP1 in Complex with Inhibitor (pdb code 3zuk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Zinc Metalloprotease ZMP1 in Complex with Inhibitor, PDB code: 3zuk:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Zinc Metalloprotease ZMP1 in Complex with Inhibitor


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 Zinc Metalloprotease ZMP1 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1695 b:59.8 occ:1.00 O A:LEU435 3.0 50.6 1.0 O A:TYR147 3.2 29.6 1.0 N A:TYR147 3.5 31.1 1.0 CB A:ARG146 3.9 33.8 1.0 C A:LEU435 4.0 50.0 1.0 C A:TYR147 4.1 29.3 1.0 O A:GLY437 4.1 51.3 1.0 CA A:TYR147 4.2 29.7 1.0 CA A:ARG146 4.2 32.7 1.0 CA A:LEU435 4.3 47.8 1.0 C A:ARG146 4.3 31.2 1.0 CB A:TYR147 4.4 29.6 1.0 CG A:ARG146 4.8 34.8 1.0 O A:LYS434 4.9 47.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Zinc Metalloprotease ZMP1 in Complex with Inhibitor


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 Zinc Metalloprotease ZMP1 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1699 b:56.4 occ:1.00 OD2 B:ASP242 3.5 34.3 1.0 CG2 B:THR115 4.0 22.7 1.0 OG1 B:THR115 4.4 27.1 1.0 CG B:ASP242 4.8 30.4 1.0 CB B:THR115 4.8 24.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Zinc Metalloprotease ZMP1 in Complex with Inhibitor


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 Zinc Metalloprotease ZMP1 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1701 b:57.1 occ:1.00 O B:HOH2084 3.4 12.1 1.0 CE2 B:TYR188 4.2 35.3 1.0 CZ B:TYR188 4.2 35.4 1.0 CD2 B:TYR188 4.4 34.0 1.0 CE1 B:TYR188 4.4 34.2 1.0 CD2 B:PHE184 4.5 34.5 1.0 CE2 B:PHE184 4.6 31.9 1.0 CD1 B:TYR188 4.6 35.7 1.0 CG B:TYR188 4.6 35.7 1.0 OH B:TYR188 4.6 36.6 1.0 CD B:ARG288 4.7 29.8 1.0 OG1 B:THR198 4.7 37.3 1.0 NH1 B:ARG288 4.8 29.5 1.0 ND1 B:HIS195 4.9 42.4 1.0 NE B:ARG288 5.0 30.7 1.0

D.M.Ferraris, D.Sbardella, A.Petrera, S.Marini, B.Amstutz, M.Coletta, P.Sander, M.Rizzi. Crystal Structure of Mycobacterium Tuberculosis Zinc-Dependent Metalloprotease-1 (ZMP1), A Metalloprotease Involved in Pathogenicity. J.Biol.Chem. V. 286 32475 2011.
ISSN: ISSN 0021-9258
PubMed: 21813647
DOI: 10.1074/JBC.M111.271809