Cobalt in PDB 6b8a: Crystal Structure of Mvfr Ligand Binding Domain in Complex with M64

The structure of Crystal Structure of Mvfr Ligand Binding Domain in Complex with M64, PDB code: 6b8a was solved by T.Kitao, S.Steinbacher, K.Maskos, M.Blaesse, L.G.Rahme, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.78 / 2.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	110.556, 121.524, 112.757, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.1

The binding sites of Cobalt atom in the Crystal Structure of Mvfr Ligand Binding Domain in Complex with M64 (pdb code 6b8a). 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 Mvfr Ligand Binding Domain in Complex with M64, PDB code: 6b8a:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Mvfr Ligand Binding Domain in Complex with M64


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 Mvfr Ligand Binding Domain in Complex with M64 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co302 b:92.8 occ:1.00 CO A:NCO302 0.0 92.8 1.0 N3 A:NCO302 2.0 85.5 1.0 N6 A:NCO302 2.0 90.5 1.0 N2 A:NCO302 2.0 90.1 1.0 N1 A:NCO302 2.0 89.2 1.0 N4 A:NCO302 2.0 90.8 1.0 N5 A:NCO302 2.0 93.0 1.0 O A:ASP117 4.2 79.3 1.0 O A:HOH402 4.5 60.4 1.0 O A:PHE119 4.5 89.5 1.0 O A:LEU116 4.5 72.7 1.0 C A:ASP117 4.9 76.5 1.0 C A:PHE119 4.9 86.2 1.0 CB A:ASN120 5.0 99.6 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Mvfr Ligand Binding Domain in Complex with M64


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 Mvfr Ligand Binding Domain in Complex with M64 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co302 b:0.6 occ:1.00 CO B:NCO302 0.0 0.6 1.0 N2 B:NCO302 2.0 0.2 1.0 N6 B:NCO302 2.0 0.1 1.0 N3 B:NCO302 2.0 0.9 1.0 N5 B:NCO302 2.0 0.1 1.0 N1 B:NCO302 2.0 0.6 1.0 N4 B:NCO302 2.0 0.2 1.0 OD2 B:ASP264 4.0 77.5 1.0 CG B:ASP264 4.5 67.8 1.0 OD1 A:ASP264 4.5 80.5 1.0 OD1 B:ASP264 4.5 81.2 1.0 OD2 A:ASP264 4.7 86.5 1.0 CG A:ASP264 4.8 70.2 1.0

T.Kitao, F.Lepine, S.Babloudi, F.Walte, S.Steinbacher, K.Maskos, M.Blaesse, M.Negri, M.Pucci, B.Zahler, A.Felici, L.G.Rahme. Molecular Insights Into Function and Competitive Inhibition Ofpseudomonas Aeruginosamultiple Virulence Factor Regulator. Mbio V. 9 2018.
ISSN: ESSN 2150-7511
PubMed: 29339431
DOI: 10.1128/MBIO.02158-17