Cobalt in PDB 6kgs: Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Meropenem

The structure of Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Meropenem, PDB code: 6kgs was solved by Z.K.Lu, A.L.Zhang, X.Liu, L.Guddat, H.T.Yang, Z.H.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.63 / 2.31
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.770, 85.110, 90.700, 90.00, 111.56, 90.00
R / Rfree (%)	19.2 / 22.6

The binding sites of Cobalt atom in the Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Meropenem (pdb code 6kgs). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Meropenem, PDB code: 6kgs:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Meropenem


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Meropenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Co702 b:37.0 occ:0.50 O A:HOH870 1.9 35.9 1.0 O A:HOH896 2.0 40.0 1.0 NE2 A:HIS652 2.1 37.0 1.0 CD2 A:HIS652 3.1 35.5 1.0 CE1 A:HIS652 3.1 35.9 1.0 ND1 A:HIS652 4.2 34.6 1.0 CG A:HIS652 4.2 38.8 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Meropenem


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Meropenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Co703 b:50.4 occ:1.00 O A:HOH880 1.7 40.9 1.0 O A:HOH819 1.8 41.4 1.0 NE2 A:HIS302 2.0 52.1 1.0 CE1 A:HIS302 2.9 47.0 1.0 CD2 A:HIS302 3.1 46.0 1.0 ND1 A:HIS302 4.0 45.3 1.0 CG A:HIS302 4.2 47.8 1.0

Z.Lu, H.Wang, A.Zhang, X.Liu, W.Zhou, C.Yang, L.Guddat, H.Yang, C.J.Schofield, Z.Rao. Structures Ofmycobacterium Tuberculosispenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol. V. 97 287 2020.
ISSN: ESSN 1521-0111
PubMed: 32086254
DOI: 10.1124/MOL.119.118042