Manganese in PDB 5cft: Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Gentamicin C1

The structure of Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Gentamicin C1, PDB code: 5cft 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)	31.99 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.580, 46.030, 89.000, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.4

The binding sites of Manganese atom in the Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Gentamicin C1 (pdb code 5cft). 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 Gentamicin C1, PDB code: 5cft:
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 Gentamicin C1


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 Gentamicin C1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:10.3 occ:1.00 OD2 A:ASP46 2.1 8.8 1.0 OD1 A:ASP44 2.1 8.9 1.0 O2A A:APC203 2.2 12.6 1.0 O2B A:APC203 2.2 11.4 1.0 O A:HOH334 2.3 9.9 1.0 O2G A:APC203 2.3 12.5 1.0 CG A:ASP46 3.1 9.3 1.0 CG A:ASP44 3.2 9.8 1.0 PB A:APC203 3.3 13.1 1.0 PG A:APC203 3.3 13.4 1.0 OD1 A:ASP46 3.4 11.2 1.0 PA A:APC203 3.4 13.5 1.0 MN A:MN202 3.4 15.7 0.6 OD2 A:ASP44 3.6 14.0 1.0 O3G A:APC203 3.6 11.6 1.0 C3A A:APC203 3.6 13.6 1.0 O3B A:APC203 3.7 13.6 1.0 O A:HOH371 3.9 26.9 1.0 O A:ASP44 4.0 8.7 1.0 O A:HOH367 4.1 9.0 1.0 C5' A:APC203 4.2 22.9 1.0 O5' A:APC203 4.3 23.2 1.0 C A:ASP44 4.3 10.2 1.0 N A:GLY28 4.3 9.5 1.0 CB A:ASP46 4.4 6.1 1.0 CB A:ASP44 4.4 8.0 1.0 N A:ASP44 4.5 10.3 1.0 O1A A:APC203 4.6 17.4 1.0 CA A:ASP44 4.6 9.5 1.0 N A:ASP46 4.6 7.8 1.0 O1B A:APC203 4.6 18.4 1.0 O1G A:APC203 4.7 14.9 1.0 N A:ILE45 4.9 7.3 1.0 CA A:GLY27 5.0 9.7 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Ant(2")-Ia in Complex with Ampcpp and Gentamicin C1


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 Gentamicin C1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:15.7 occ:0.60 OD1 A:ASP46 2.3 11.2 1.0 OD2 A:ASP86 2.3 10.6 1.0 OD2 A:ASP44 2.3 14.0 1.0 O6 A:51G204 2.3 17.6 1.0 O2A A:APC203 2.3 12.6 1.0 CG A:ASP44 3.2 9.8 1.0 CG A:ASP86 3.2 11.7 1.0 OD1 A:ASP44 3.3 8.9 1.0 CG A:ASP46 3.3 9.3 1.0 CB A:ASP86 3.4 9.2 1.0 MN A:MN201 3.4 10.3 1.0 PA A:APC203 3.5 13.5 1.0 OD2 A:ASP46 3.6 8.8 1.0 O1A A:APC203 3.7 17.4 1.0 C14 A:51G204 3.7 14.6 1.0 N1 A:51G204 3.8 11.3 1.0 O5' A:APC203 3.9 23.2 1.0 C5' A:APC203 4.0 22.9 1.0 O A:HOH360 4.2 40.1 1.0 C15 A:51G204 4.3 21.8 1.0 O A:HOH361 4.4 32.6 1.0 OD1 A:ASP86 4.4 13.0 1.0 O3 A:51G204 4.4 14.1 1.0 N A:51G204 4.4 23.1 1.0 O A:HOH371 4.4 26.9 1.0 C13 A:51G204 4.5 13.3 1.0 CB A:ASP44 4.5 8.0 1.0 C19 A:51G204 4.6 24.5 1.0 CB A:ASP46 4.6 6.1 1.0 O2B A:APC203 4.9 11.4 1.0 CA A:ASP86 4.9 7.5 1.0 O2G A:APC203 4.9 12.5 1.0 C3A A:APC203 5.0 13.6 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