Magnesium in PDB 6o5u: Aac-Via Bound to Kanamycin A

All present enzymatic activity of Aac-Via Bound to Kanamycin A:
2.3.1.81;

The structure of Aac-Via Bound to Kanamycin A, PDB code: 6o5u was solved by P.Kumar, M.J.Cuneo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.13 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.271, 86.282, 50.193, 90.00, 119.96, 90.00
R / Rfree (%)	12.9 / 15.6

The binding sites of Magnesium atom in the Aac-Via Bound to Kanamycin A (pdb code 6o5u). 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 Aac-Via Bound to Kanamycin A, PDB code: 6o5u:

Magnesium binding site 1 out of 1 in the Aac-Via Bound to Kanamycin A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Aac-Via Bound to Kanamycin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:32.4 occ:0.50 O A:HOH776 1.8 27.9 1.0 O A:HOH518 1.9 17.1 1.0 O A:HOH681 2.6 33.2 1.0 OD2 A:ASP145 2.9 17.2 1.0 CG A:ASP145 3.8 15.9 1.0 OD1 A:ASP145 3.8 15.5 1.0 HD21 A:ASN73 3.8 19.1 1.0 O A:THR71 3.8 19.1 1.0 O A:HOH428 4.1 38.5 1.0 HB2 A:PRO144 4.1 18.5 1.0 HB A:THR71 4.2 26.3 1.0 HE1 A:HIS171 4.2 23.2 1.0 HE2 A:HIS171 4.3 22.2 1.0 ND2 A:ASN73 4.6 15.9 1.0 O A:HOH564 4.7 17.0 1.0 HD22 A:ASN73 4.7 19.1 1.0 HG2 A:PRO144 4.8 18.6 1.0 O A:HOH729 4.8 40.0 1.0 CE1 A:HIS171 4.9 19.3 1.0 NE2 A:HIS171 4.9 18.5 1.0 C A:THR71 4.9 18.5 1.0

P.Kumar, P.K.Agarwal, M.B.Waddell, T.Mittag, E.H.Serpersu, M.J.Cuneo. Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of A Catalytic Triad. Angew.Chem.Int.Ed.Engl. V. 58 16260 2019.
ISSN: ESSN 1521-3773
PubMed: 31515870
DOI: 10.1002/ANIE.201908535