Chlorine in PDB 4lq6: Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis

The structure of Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis, PDB code: 4lq6 was solved by A.Kumar, S.Kumar, D.Kumar, A.Mishra, R.P.Dewangan, P.Shrivastava, S.Ramachandran, B.Taneja, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.09 / 1.68
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.350, 103.780, 129.970, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.4

The structure of Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis also contains other interesting chemical elements:

Platinum	(Pt)	9 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis (pdb code 4lq6). 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 RV3717 Reveals A Novel Amidase From M. Tuberculosis, PDB code: 4lq6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis


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 RV3717 Reveals A Novel Amidase From M. Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:74.5 occ:1.00 NH1 A:ARG137 3.2 26.2 1.0 NH2 A:ARG137 3.8 29.9 1.0 O A:HOH493 4.0 53.1 1.0 CZ A:ARG137 4.0 39.1 1.0 O A:HOH543 4.0 47.3 1.0 CD1 A:LEU156 4.1 22.0 1.0 NE A:ARG134 4.6 40.6 1.0 O A:HOH491 4.8 51.2 1.0 CD A:ARG134 5.0 26.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis


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 RV3717 Reveals A Novel Amidase From M. Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:52.4 occ:1.00 N A:ALA123 3.2 19.2 1.0 O A:HOH467 3.4 32.2 1.0 CB A:ASN122 3.8 20.2 1.0 CB A:ALA123 3.8 21.1 1.0 CA A:ASN122 3.8 17.9 1.0 C A:ASN122 4.0 21.0 1.0 CA A:ALA123 4.1 19.3 1.0 O A:HOH481 4.7 48.1 1.0 CG A:ASN122 5.0 20.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis


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 RV3717 Reveals A Novel Amidase From M. Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:48.0 occ:1.00 PT A:PT309 2.3 50.5 0.2 O A:HOH420 2.4 25.6 1.0 CL A:CL306 2.7 34.5 1.0 O A:HOH458 2.7 28.7 1.0 N A:GLY164 3.0 16.4 1.0 N A:ALA163 3.5 14.5 1.0 CA A:GLY164 3.7 16.4 1.0 C A:LEU162 3.9 16.3 1.0 CB A:LEU162 3.9 13.4 1.0 C A:ALA163 4.0 17.6 1.0 CB A:VAL82 4.1 17.4 1.0 CA A:LEU162 4.1 13.2 1.0 CG1 A:VAL82 4.1 18.8 1.0 CA A:ALA163 4.1 15.0 1.0 O A:HOH453 4.2 23.7 1.0 CB A:ALA163 4.4 16.9 1.0 O A:HOH492 4.6 31.9 1.0 O A:LEU162 4.6 14.9 1.0 O A:HOH438 4.7 46.1 1.0 CG2 A:VAL82 4.7 16.8 1.0 O A:HOH487 4.7 42.0 1.0 N A:LEU165 4.7 14.1 1.0 CD1 A:LEU174 4.7 17.3 1.0 O A:HOH524 4.7 54.8 1.0 C A:GLY164 4.8 19.5 1.0 CD2 A:LEU162 4.8 20.5 1.0 CG A:LEU162 4.8 17.2 1.0 O A:HOH417 5.0 20.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of RV3717 Reveals A Novel Amidase From M. Tuberculosis


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 RV3717 Reveals A Novel Amidase From M. Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:34.5 occ:1.00 PT A:PT309 2.0 50.5 0.2 CL A:CL305 2.7 48.0 1.0 NZ A:LYS31 3.0 38.2 1.0 N A:ALA163 3.2 14.5 1.0 CE A:LYS31 3.4 39.9 1.0 O A:HOH438 3.4 46.1 1.0 CD A:LYS31 3.4 39.1 1.0 O A:HOH524 3.5 54.8 1.0 CA A:LEU162 3.9 13.2 1.0 CB A:ALA163 3.9 16.9 1.0 C A:LEU162 4.0 16.3 1.0 CA A:ALA163 4.1 15.0 1.0 CG2 A:VAL82 4.2 16.8 1.0 O A:HOH525 4.2 40.0 1.0 CD2 A:LEU162 4.3 20.5 1.0 O A:ASP161 4.3 18.2 1.0 CG1 A:VAL82 4.4 18.8 1.0 CB A:VAL82 4.4 17.4 1.0 CB A:LEU162 4.5 13.4 1.0 CG A:LYS31 4.5 30.0 1.0 O A:HOH540 4.5 52.3 1.0 N A:GLY164 4.6 16.4 1.0 O A:HOH420 4.8 25.6 1.0 C A:ALA163 4.9 17.6 1.0

A.Kumar, S.Kumar, D.Kumar, A.Mishra, R.P.Dewangan, P.Shrivastava, S.Ramachandran, B.Taneja. The Structure of RV3717 Reveals A Novel Amidase From Mycobacterium Tuberculosis. Acta Crystallogr.,Sect.D V. 69 2543 2013.
ISSN: ISSN 0907-4449
PubMed: 24311595
DOI: 10.1107/S0907444913026371