Chlorine in PDB 5xur: Crystal Structure of RV2466C C22S Mutant

The structure of Crystal Structure of RV2466C C22S Mutant, PDB code: 5xur was solved by X.Zhang, H.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.56 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.391, 58.767, 109.331, 90.00, 100.67, 90.00
R / Rfree (%)	15.7 / 18.7

The binding sites of Chlorine atom in the Crystal Structure of RV2466C C22S Mutant (pdb code 5xur). 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 Crystal Structure of RV2466C C22S Mutant, PDB code: 5xur:

Chlorine binding site 1 out of 1 in the Crystal Structure of RV2466C C22S Mutant


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 RV2466C C22S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:57.5 occ:1.00 O B:HOH484 2.9 55.6 1.0 O B:VAL151 3.1 58.5 1.0 N B:VAL151 3.4 56.3 1.0 O B:HOH452 3.4 43.9 1.0 C B:VAL151 3.9 65.1 1.0 CA B:VAL151 4.0 65.8 1.0 O B:GLY143 4.1 44.8 1.0 CB B:VAL151 4.2 59.1 1.0 SD B:MET45 4.2 37.6 1.0 C B:ASP150 4.4 61.8 1.0 CA B:ASP150 4.4 63.2 1.0 CG2 B:THR155 4.4 33.9 1.0 CE B:MET45 4.4 38.5 1.0 CB B:ASP150 4.4 61.5 1.0 CE1 B:HIS140 4.6 35.6 1.0 O B:HIS140 4.6 29.9 1.0 CG2 B:VAL151 4.7 51.2 1.0 NE2 B:HIS140 4.8 28.4 1.0 C B:GLY143 4.8 40.4 1.0 CG B:ASP150 4.9 65.3 1.0 CB B:MET45 4.9 21.9 1.0 ND1 B:HIS140 5.0 30.7 1.0

A.Negri, P.Javidnia, R.Mu, X.Zhang, J.Vendome, B.Gold, J.Roberts, D.Barman, T.Ioerger, J.C.Sacchettini, X.Jiang, K.Burns-Huang, T.Warrier, Y.Ling, J.D.Warren, D.A.Oren, T.Beuming, H.Wang, J.Wu, H.Li, K.Y.Rhee, C.F.Nathan, G.Liu, S.Somersan-Karakaya. Identification of A Mycothiol-Dependent Nitroreductase From Mycobacterium Tuberculosis. Acs Infect Dis V. 4 771 2018.
ISSN: ESSN 2373-8227
PubMed: 29465985
DOI: 10.1021/ACSINFECDIS.7B00111