Magnesium in PDB 6bbr: Room Temperature Neutron/X-Ray Structure of Aac-Via

The structure of Room Temperature Neutron/X-Ray Structure of Aac-Via, PDB code: 6bbr was solved by M.J.Cuneo, P.Kumar, E.H.Serpersu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.00
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	51.600, 86.100, 78.800, 90.00, 94.00, 90.00
R / Rfree (%)	22.1 / 24.6

The binding sites of Magnesium atom in the Room Temperature Neutron/X-Ray Structure of Aac-Via (pdb code 6bbr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Room Temperature Neutron/X-Ray Structure of Aac-Via, PDB code: 6bbr:

Magnesium binding site 1 out of 1 in the Room Temperature Neutron/X-Ray Structure of Aac-Via


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Room Temperature Neutron/X-Ray Structure of Aac-Via within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:53.8 occ:0.50 O A:DOD411 1.8 40.4 1.0 D1 A:DOD411 1.9 48.5 0.9 O A:DOD421 2.1 39.5 1.0 D2 A:DOD411 2.3 48.5 0.1 D1 A:DOD421 2.3 47.3 0.7 O A:DOD460 2.6 50.3 1.0 OD2 A:ASP145 2.8 36.9 1.0 D2 A:DOD421 2.8 47.3 0.5 OD1 A:ASP145 3.5 36.6 1.0 CG A:ASP145 3.5 43.5 1.0 HB2 A:PRO144 3.8 42.2 1.0 O A:THR71 3.9 37.4 1.0 D1 A:DOD474 4.2 76.9 1.0 HE1 A:HIS171 4.2 70.2 1.0 DD21 A:ASN73 4.3 44.5 0.7 HD22 A:ASN73 4.3 44.5 0.0 HG2 A:PRO144 4.4 49.9 1.0 HD21 A:ASN73 4.4 44.5 0.3 DD22 A:ASN73 4.4 44.5 1.0 HB A:THR71 4.4 46.7 1.0 D2 A:DOD474 4.5 76.9 1.0 ND2 A:ASN73 4.6 37.0 1.0 O A:DOD474 4.7 64.1 1.0 CB A:PRO144 4.7 35.2 1.0 O A:DOD471 4.8 42.8 1.0 D2 A:DOD471 4.9 51.3 0.4 DE2 A:HIS171 4.9 90.8 0.5 HE2 A:HIS171 4.9 90.8 0.5 HA A:THR71 5.0 43.1 1.0 CB A:ASP145 5.0 42.6 1.0

P.Kumar, E.H.Serpersu, M.J.Cuneo. A Low-Barrier Hydrogen Bond Mediates Antibiotic Resistance in A Noncanonical Catalytic Triad. Sci Adv V. 4 S8667 2018.
ISSN: ESSN 2375-2548
PubMed: 29632894
DOI: 10.1126/SCIADV.AAS8667