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

The structure of Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Faropenem, PDB code: 6kgt 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)	42.43 / 2.31
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.035, 84.857, 90.868, 90.00, 111.39, 90.00
R / Rfree (%)	20.1 / 24.4

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

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


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 Faropenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Co702 b:56.9 occ:0.82 O A:HOH902 1.9 47.0 1.0 O A:HOH900 2.1 51.2 1.0 NE2 A:HIS652 2.2 49.5 1.0 CD2 A:HIS652 3.1 37.5 1.0 CE1 A:HIS652 3.3 40.6 1.0 CG A:HIS652 4.3 45.4 1.0 ND1 A:HIS652 4.3 44.9 1.0

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


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 Faropenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Co703 b:90.8 occ:0.77 NE2 A:HIS645 2.2 81.8 1.0 O A:HOH888 2.4 77.4 1.0 O A:HOH914 2.5 67.1 1.0 O A:HOH822 2.6 77.9 1.0 CE1 A:HIS645 2.9 71.9 1.0 CD2 A:HIS645 3.3 71.8 1.0 O A:HOH876 3.8 63.7 1.0 ND1 A:HIS645 4.1 70.8 1.0 CG A:HIS645 4.3 69.2 1.0 O A:HOH848 4.6 52.6 1.0

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Penicillin Binding Protein 3 (PBP3) From Mycobacterium Tuerculosis, Complexed with Faropenem within 5.0Å range: probe atom residue distance (Å) B Occ A:Co704 b:59.8 occ:1.00 O A:HOH836 1.6 43.9 1.0 NE2 A:HIS302 2.1 55.0 1.0 CE1 A:HIS302 3.0 55.9 1.0 CD2 A:HIS302 3.1 51.8 1.0 ND1 A:HIS302 4.2 53.5 1.0 CG A:HIS302 4.2 55.4 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