Chlorine in PDB 4wsp: Racemic Crystal Structure of RV1738 From Mycobacterium Tuberculosis (Form-I)

The structure of Racemic Crystal Structure of RV1738 From Mycobacterium Tuberculosis (Form-I), PDB code: 4wsp was solved by R.D.Bunker, K.Mandal, S.B.H.Kent, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.34 / 1.65
Space group	C 1 2/c 1
Cell size a, b, c (Å), α, β, γ (°)	96.130, 32.401, 58.214, 90.00, 125.06, 90.00
R / Rfree (%)	25 / 26.4

The binding sites of Chlorine atom in the Racemic Crystal Structure of RV1738 From Mycobacterium Tuberculosis (Form-I) (pdb code 4wsp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Racemic Crystal Structure of RV1738 From Mycobacterium Tuberculosis (Form-I), PDB code: 4wsp:

Chlorine binding site 1 out of 1 in the Racemic Crystal Structure of RV1738 From Mycobacterium Tuberculosis (Form-I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Racemic Crystal Structure of RV1738 From Mycobacterium Tuberculosis (Form-I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:45.5 occ:1.00 H A:ARG46 2.5 40.1 1.0 HH12 A:ARG65 2.5 40.5 1.0 O A:HOH204 2.9 56.1 1.0 HA A:ALA45 3.0 33.3 1.0 N A:ARG46 3.3 33.4 1.0 NH1 A:ARG65 3.3 33.8 1.0 HD23 A:LEU61 3.4 44.3 1.0 HG3 A:ARG46 3.5 60.5 1.0 HB1 A:ALA45 3.5 36.8 1.0 HB2 A:ARG46 3.5 51.9 1.0 HH22 A:ARG65 3.5 42.2 1.0 HD21 A:LEU61 3.6 44.3 1.0 CA A:ALA45 3.7 27.8 1.0 HH11 A:ARG65 3.8 40.5 1.0 HD3 A:ARG46 3.8 69.8 1.0 CD2 A:LEU61 4.0 36.9 1.0 CB A:ALA45 4.0 30.7 1.0 C A:ALA45 4.0 30.3 1.0 HB3 A:PRO49 4.0 60.6 1.0 CB A:ARG46 4.1 43.2 1.0 CG A:ARG46 4.1 50.4 1.0 NH2 A:ARG65 4.2 35.2 1.0 CZ A:ARG65 4.2 34.0 1.0 HB2 A:ALA45 4.2 36.8 1.0 CA A:ARG46 4.3 37.7 1.0 CD A:ARG46 4.5 58.2 1.0 HD22 A:LEU61 4.7 44.3 1.0 HG A:LEU61 4.7 41.2 1.0 HB3 A:ALA45 4.9 36.8 1.0 O A:LEU44 4.9 29.0 1.0 CB A:PRO49 5.0 50.5 1.0 HH21 A:ARG65 5.0 42.2 1.0 HA A:ARG46 5.0 45.2 1.0 N A:ALA45 5.0 27.1 1.0 CG A:LEU61 5.0 34.4 1.0

R.D.Bunker, K.Mandal, G.Bashiri, J.Chaston, B.Pentelute, J.S.Lott, S.B.H.Kent, E.N.Baker. A Functional Role of RV1738 in Mycobacterium Tuberculosis Persistence Suggested By Racemic Protein Crystallography Proc.Natl.Acad.Sci.Usa 2015.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.1422387112