Mercury in PDB 4gsr: 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: 4gsr 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 / 1.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.661, 58.449, 40.964, 90.00, 94.28, 90.00
R / Rfree (%)	19.5 / 22.6

The binding sites of Mercury 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 4gsr). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury 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: 4gsr:

Mercury 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 Mercury with other atoms in the Hg 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:Hg501 b:29.9 occ:0.50 HG A:EMT501 0.0 29.9 0.5 O A:HOH799 2.3 36.3 1.0 OD2 A:EMT501 2.5 21.8 0.5 SD A:EMT501 2.6 26.0 0.5 O A:HOH654 2.9 25.2 1.0 CG A:EMT501 3.3 23.6 0.5 O A:HOH804 3.3 48.1 1.0 CE1 A:EMT501 3.4 25.0 0.5 CE2 A:PHE215 3.7 13.7 1.0 CZ A:EMT501 3.7 24.0 0.5 CZ A:PHE215 3.7 13.8 1.0 CD2 A:PHE215 4.0 13.0 1.0 CE1 A:PHE215 4.1 13.2 1.0 OD1 A:EMT501 4.2 23.5 0.5 CG A:PHE215 4.3 12.9 1.0 CD1 A:PHE215 4.4 12.8 1.0 CD1 A:EMT501 4.6 24.4 0.5 CD1 A:ILE291 4.7 16.2 1.0 N A:PHE215 4.8 13.2 1.0 O A:HOH735 4.9 28.3 1.0 CE2 A:EMT501 4.9 24.0 0.5

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