Magnesium in PDB 6nti: Neutron/X-Ray Crystal Structure of Aac-Via Bound to Kanamycin B

All present enzymatic activity of Neutron/X-Ray Crystal Structure of Aac-Via Bound to Kanamycin B:
2.3.1.81;

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

Resolution Low / High (Å)	N/A / 2.30
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	51.359, 86.058, 77.597, 90.00, 93.98, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Magnesium atom in the Neutron/X-Ray Crystal Structure of Aac-Via Bound to Kanamycin B (pdb code 6nti). 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 Neutron/X-Ray Crystal Structure of Aac-Via Bound to Kanamycin B, PDB code: 6nti:

Magnesium binding site 1 out of 1 in the Neutron/X-Ray Crystal Structure of Aac-Via Bound to Kanamycin B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Neutron/X-Ray Crystal Structure of Aac-Via Bound to Kanamycin B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:48.5 occ:0.50 D2 A:HOH414 1.9 46.3 0.0 O A:HOH407 2.0 43.2 1.0 O A:HOH414 2.0 38.6 1.0 D1 A:HOH407 2.1 51.8 1.0 O A:HOH432 2.1 53.8 1.0 D2 A:HOH407 2.4 51.8 1.0 D2 A:HOH432 2.6 64.5 1.0 D1 A:HOH432 2.7 64.5 1.0 OD2 A:ASP145 2.9 36.7 1.0 D1 A:HOH414 2.9 46.3 0.6 OD1 A:ASP145 3.5 38.7 1.0 CG A:ASP145 3.6 37.8 1.0 DD21 A:ASN73 3.7 41.3 0.9 HD21 A:ASN73 3.7 41.3 0.1 O A:THR71 3.8 44.8 1.0 HB2 A:PRO144 3.9 44.0 1.0 HE1 A:HIS171 4.2 73.6 1.0 HB A:THR71 4.3 50.3 1.0 HE2 A:HIS171 4.5 81.5 0.0 DE2 A:HIS171 4.5 81.5 1.0 HG2 A:PRO144 4.6 42.1 1.0 ND2 A:ASN73 4.6 34.4 1.0 D1 A:HOH461 4.7 52.9 1.0 O A:HOH461 4.7 44.1 1.0 DD22 A:ASN73 4.9 41.3 0.8 HD22 A:ASN73 4.9 41.3 0.2 C A:THR71 4.9 30.3 1.0 CB A:PRO144 4.9 36.7 1.0 HD2 A:PRO144 4.9 42.2 1.0 HA A:THR71 5.0 41.0 1.0 CE1 A:HIS171 5.0 61.3 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