Manganese in PDB 5cfs: Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Tobramycin

The structure of Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Tobramycin, PDB code: 5cfs was solved by D.Rodionov, A.V.Bassenden, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.10 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.720, 45.970, 89.950, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.3

The binding sites of Manganese atom in the Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Tobramycin (pdb code 5cfs). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Tobramycin, PDB code: 5cfs:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Tobramycin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Tobramycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:16.6 occ:1.00 OD1 A:ASP44 2.1 13.7 1.0 O2A A:APC204 2.1 21.4 1.0 OD2 A:ASP46 2.2 15.1 1.0 O2B A:APC204 2.2 17.4 1.0 O A:HOH314 2.3 15.9 1.0 O2G A:APC204 2.3 19.7 1.0 CG A:ASP46 3.1 13.6 1.0 CG A:ASP44 3.1 14.4 1.0 PB A:APC204 3.3 21.3 1.0 MN A:MN202 3.4 16.2 0.6 OD1 A:ASP46 3.4 17.2 1.0 PG A:APC204 3.4 21.9 1.0 PA A:APC204 3.4 24.0 1.0 OD2 A:ASP44 3.5 18.8 1.0 O3G A:APC204 3.7 19.5 1.0 C3A A:APC204 3.7 20.5 1.0 O3B A:APC204 3.7 19.2 1.0 O A:ASP44 4.1 11.9 1.0 O A:HOH424 4.1 44.8 1.0 O A:HOH334 4.2 14.0 1.0 O5' A:APC204 4.3 43.4 1.0 N A:GLY28 4.3 11.7 1.0 C A:ASP44 4.4 13.0 1.0 CB A:ASP46 4.4 11.9 1.0 O A:HOH306 4.4 43.5 0.9 O1A A:APC204 4.5 30.7 1.0 CB A:ASP44 4.5 14.1 1.0 N A:ASP44 4.5 14.8 1.0 C5' A:APC204 4.6 41.3 1.0 O1B A:APC204 4.6 22.7 1.0 N A:ASP46 4.6 10.7 1.0 CA A:ASP44 4.7 14.0 1.0 O23 A:TOY203 4.7 34.7 1.0 O1G A:APC204 4.7 25.1 1.0 CA A:GLY27 4.9 11.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Tobramycin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Tobramycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:16.2 occ:0.63 OD2 A:ASP44 2.2 18.8 1.0 OD1 A:ASP46 2.2 17.2 1.0 OD2 A:ASP86 2.3 19.0 1.0 O2A A:APC204 2.4 21.4 1.0 N33 A:TOY203 2.6 37.9 1.0 O23 A:TOY203 2.6 34.7 1.0 CG A:ASP44 3.1 14.4 1.0 C33 A:TOY203 3.2 37.3 1.0 CG A:ASP46 3.2 13.6 1.0 OD1 A:ASP44 3.2 13.7 1.0 CG A:ASP86 3.2 18.0 1.0 MN A:MN201 3.4 16.6 1.0 C23 A:TOY203 3.4 33.1 1.0 CB A:ASP86 3.5 14.1 1.0 OD2 A:ASP46 3.5 15.1 1.0 PA A:APC204 3.6 24.0 1.0 O A:HOH306 3.6 43.5 0.9 O1A A:APC204 3.8 30.7 1.0 N12 A:TOY203 3.9 15.7 1.0 O5' A:APC204 4.1 43.4 1.0 OD1 A:ASP86 4.4 20.2 1.0 CB A:ASP44 4.5 14.1 1.0 O A:HOH424 4.5 44.8 1.0 CB A:ASP46 4.6 11.9 1.0 O62 A:TOY203 4.6 17.1 1.0 C13 A:TOY203 4.6 25.1 1.0 C43 A:TOY203 4.7 39.1 1.0 O2B A:APC204 4.9 17.4 1.0 O2G A:APC204 5.0 19.7 1.0 CA A:ASP86 5.0 14.2 1.0

A.V.Bassenden, D.Rodionov, K.Shi, A.M.Berghuis. Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations For Next-Generation Aminoglycoside Design. Acs Chem.Biol. V. 11 1339 2016.
ISSN: ESSN 1554-8937
PubMed: 26900880
DOI: 10.1021/ACSCHEMBIO.5B01070