Calcium in PDB 4gsq: Structural Basis For the Inhibition of Mycobacterium Tuberculosis L,D- Transpeptidase By Meropenem, A Drug Effective Against Extensively Drug-Resistant Strains

The structure of Structural Basis For the Inhibition of Mycobacterium Tuberculosis L,D- Transpeptidase By Meropenem, A Drug Effective Against Extensively Drug-Resistant Strains, PDB code: 4gsq was solved by H.S.Kim, J.Kim, H.N.Im, J.Y.Yoon, D.R.An, H.J.Yoon, J.Y.Kim, H.K.Min, S.-J.Kim, J.Y.Lee, B.W.Han, S.W.Suh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.594, 58.639, 40.925, 90.00, 94.40, 90.00
R / Rfree (%)	19.5 / 23.3

The binding sites of Calcium atom in the Structural Basis For the Inhibition of Mycobacterium Tuberculosis L,D- Transpeptidase By Meropenem, A Drug Effective Against Extensively Drug-Resistant Strains (pdb code 4gsq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structural Basis For the Inhibition of Mycobacterium Tuberculosis L,D- Transpeptidase By Meropenem, A Drug Effective Against Extensively Drug-Resistant Strains, PDB code: 4gsq:

Calcium binding site 1 out of 1 in the Structural Basis For the Inhibition of Mycobacterium Tuberculosis L,D- Transpeptidase By Meropenem, A Drug Effective Against Extensively Drug-Resistant Strains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Basis For the Inhibition of Mycobacterium Tuberculosis L,D- Transpeptidase By Meropenem, A Drug Effective Against Extensively Drug-Resistant Strains within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:63.6 occ:1.00 O A:HOH804 2.2 54.7 1.0 N A:GLY236 2.5 33.2 1.0 OD1 A:ASP232 2.9 34.3 1.0 N A:GLU235 2.9 36.7 1.0 C A:GLY234 3.1 36.0 1.0 CA A:GLY236 3.3 35.6 1.0 CA A:GLY234 3.4 35.5 1.0 C A:GLU235 3.4 35.0 1.0 CA A:GLU235 3.6 36.8 1.0 OD2 A:ASP232 3.6 35.0 1.0 CG A:ASP232 3.7 33.9 1.0 O A:GLY234 3.8 34.9 1.0 N A:GLY234 3.9 34.5 1.0 N A:MET237 4.1 36.1 1.0 C A:GLY236 4.3 36.7 1.0 O A:GLU235 4.6 36.1 1.0

H.S.Kim, J.Kim, H.N.Im, J.Y.Yoon, D.R.An, H.J.Yoon, J.Y.Kim, H.K.Min, S.-J.Kim, J.Y.Lee, B.W.Han, S.W.Suh. Structural Basis For the Inhibition of Mycobacterium Tuberculosis L,D-Transpeptidase By Meropenem, A Drug Effective Against Extensively Drug-Resistant Strains Acta Crystallogr.,Sect.D V. 69 420 2013.
ISSN: ISSN 0907-4449
PubMed: 23519417
DOI: 10.1107/S0907444912048998