Calcium in PDB 6d51: Crystal Structure of L,D-Transpeptidase 3 From Mycobacterium Tuberculosis in Complex with A Faropenem-Derived Adduct

The structure of Crystal Structure of L,D-Transpeptidase 3 From Mycobacterium Tuberculosis in Complex with A Faropenem-Derived Adduct, PDB code: 6d51 was solved by G.A.Libreros, M.V.B.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.94 / 1.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.067, 46.175, 110.724, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.9

The binding sites of Calcium atom in the Crystal Structure of L,D-Transpeptidase 3 From Mycobacterium Tuberculosis in Complex with A Faropenem-Derived Adduct (pdb code 6d51). 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 Crystal Structure of L,D-Transpeptidase 3 From Mycobacterium Tuberculosis in Complex with A Faropenem-Derived Adduct, PDB code: 6d51:

Calcium binding site 1 out of 1 in the Crystal Structure of L,D-Transpeptidase 3 From Mycobacterium Tuberculosis in Complex with A Faropenem-Derived Adduct


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of L,D-Transpeptidase 3 From Mycobacterium Tuberculosis in Complex with A Faropenem-Derived Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:20.0 occ:1.00 O A:VAL17 2.4 20.4 1.0 O A:HOH455 2.4 19.4 1.0 O A:HOH550 2.4 25.5 1.0 O A:HOH518 2.4 24.6 1.0 OD2 A:ASP231 2.5 18.5 1.0 OD1 A:ASP231 2.5 19.9 1.0 CG A:ASP231 2.8 20.2 1.0 C A:VAL17 3.5 20.5 1.0 CA A:VAL18 4.1 17.7 1.0 N A:VAL18 4.2 18.8 1.0 O A:HOH522 4.3 25.9 1.0 CB A:ASP231 4.3 20.0 1.0 O A:HOH564 4.5 38.7 1.0 O A:HOH487 4.5 26.2 1.0 O A:ILE232 4.6 19.3 1.0 N A:ILE232 4.6 16.5 1.0 CA A:VAL17 4.6 17.9 1.0 NE2 A:GLN16 4.7 23.1 1.0 CB A:VAL17 4.7 21.4 1.0 CG1 A:VAL17 4.9 26.9 1.0 CG1 A:VAL18 4.9 17.1 1.0 N A:VAL17 4.9 18.4 1.0 C A:VAL18 5.0 16.0 1.0

G.A.Libreros-Zuniga, C.Dos Santos Silva, R.Salgado Ferreira, M.V.B.Dias. Structural Basis For the Interaction and Processing of Beta-Lactam Antibiotics By L,D-Transpeptidase 3 (LDTMT3) From Mycobacterium Tuberculosis. Acs Infect Dis V. 5 260 2019.
ISSN: ESSN 2373-8227
PubMed: 30556998
DOI: 10.1021/ACSINFECDIS.8B00244