Chlorine in PDB 3s4k: Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis

The structure of Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis, PDB code: 3s4k was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.82 / 1.70
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	41.722, 50.642, 60.506, 90.00, 92.76, 90.00
R / Rfree (%)	17.1 / 19.7

The binding sites of Chlorine atom in the Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis (pdb code 3s4k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis, PDB code: 3s4k:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl143 b:9.4 occ:0.50 NE A:ARG110 3.3 11.2 1.0 NH2 A:ARG110 3.4 10.1 1.0 NE2 A:GLN111 3.5 18.7 1.0 CZ A:ARG110 3.8 10.8 1.0 CG A:GLN111 3.8 9.1 1.0 NE2 A:GLN134 4.0 13.1 1.0 CG A:GLN134 4.0 13.3 1.0 CB A:ARG110 4.0 9.2 1.0 CD A:GLN111 4.0 12.9 1.0 CD A:GLN134 4.2 14.5 1.0 O A:ARG110 4.3 8.1 1.0 CD A:ARG110 4.5 11.2 1.0 CG A:ARG110 4.5 10.6 1.0 C A:ARG110 4.7 8.5 1.0 CA A:ARG110 4.9 9.6 1.0 OE1 A:GLN134 5.0 18.4 1.0

Chlorine binding site 2 out of 4 in the Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl144 b:39.0 occ:1.00 C A:THR26 3.8 8.7 1.0 O A:THR26 3.9 8.3 1.0 N A:GLU27 3.9 8.6 1.0 N A:LEU28 4.0 9.6 1.0 CA A:GLU27 4.0 9.1 1.0 C A:GLU27 4.0 9.3 1.0 O A:PHE25 4.2 8.3 1.0 CB A:LEU28 4.2 10.2 1.0 C A:PHE25 4.4 8.8 1.0 CB A:PHE25 4.4 8.7 1.0 CA A:THR26 4.4 8.7 1.0 N A:THR26 4.5 8.2 1.0 O A:GLU27 4.6 9.8 1.0 CA A:LEU28 4.8 9.4 1.0

Chlorine binding site 3 out of 4 in the Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl143 b:9.4 occ:0.50 NE B:ARG110 3.2 10.4 1.0 NH2 B:ARG110 3.3 7.9 1.0 NE2 B:GLN111 3.4 18.4 1.0 CZ B:ARG110 3.7 10.6 1.0 CG B:GLN111 3.8 9.5 1.0 CB B:ARG110 3.9 9.1 1.0 NE2 B:GLN134 3.9 14.2 1.0 CG B:GLN134 4.0 12.9 1.0 CD B:GLN111 4.0 12.9 1.0 CD B:GLN134 4.2 15.2 1.0 CD B:ARG110 4.4 11.3 1.0 O B:ARG110 4.4 7.1 1.0 CG B:ARG110 4.5 9.9 1.0 C B:ARG110 4.7 8.2 1.0 CA B:ARG110 4.9 8.7 1.0

Chlorine binding site 4 out of 4 in the Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl145 b:39.5 occ:1.00 C B:THR26 3.9 8.0 1.0 N B:GLU27 4.0 8.2 1.0 O B:THR26 4.0 7.5 1.0 C B:GLU27 4.0 8.3 1.0 O B:PHE25 4.1 10.0 1.0 N B:LEU28 4.1 8.5 1.0 CA B:GLU27 4.1 7.8 1.0 CB B:LEU28 4.1 9.5 1.0 CB B:PHE25 4.3 9.4 1.0 C B:PHE25 4.3 9.5 1.0 N B:THR26 4.5 9.0 1.0 CA B:THR26 4.5 8.4 1.0 O B:GLU27 4.5 8.6 1.0 CA B:LEU28 4.8 8.3 1.0 CA B:PHE25 5.0 9.2 1.0

M.C.Clifton, T.E.Edwards, B.Sankaran, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Structure of A Putative Esterase RV1847/MT1895 From Mycobacterium Tuberculosis To Be Published.