Calcium in PDB 2vqy: Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa.

All present enzymatic activity of Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa.:
2.3.1.82;

The structure of Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa., PDB code: 2vqy was solved by M.W.Vetting, C.H.Park, S.S.Hedge, D.C.Hooper, J.S.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	147.44 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.331, 57.331, 147.620, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21.7

The binding sites of Calcium atom in the Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa. (pdb code 2vqy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa., PDB code: 2vqy:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1202 b:19.9 occ:1.00 OE2 A:GLU145 2.2 21.8 1.0 O A:HOH2140 2.4 19.8 1.0 O A:HOH2146 2.4 32.1 1.0 O A:HOH2147 2.4 21.2 1.0 CD A:GLU145 3.3 21.4 1.0 CG A:GLU145 3.9 17.7 1.0 O A:HOH2145 4.2 37.0 1.0 OE1 A:GLU145 4.3 23.0 1.0 OD1 A:ASP143 4.4 17.5 1.0

Calcium binding site 2 out of 2 in the Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Aac(6')-Ib in Complex with Parmomycin and Acetylcoa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1203 b:21.4 occ:1.00 O A:ARG194 2.3 21.6 1.0 O A:SER197 2.4 28.8 1.0 O A:HOH2189 2.4 21.8 1.0 O A:ALA199 2.5 36.1 1.0 C A:ARG194 3.5 20.6 1.0 C A:SER197 3.5 29.8 1.0 C A:ALA199 3.8 36.8 1.0 CA A:ARG194 4.0 19.8 1.0 OG A:SER197 4.3 31.6 1.0 N A:ALA199 4.3 35.8 1.0 C A:ASP198 4.4 34.8 1.0 N A:SER197 4.4 27.4 1.0 N A:ASP198 4.4 31.6 1.0 O A:HOH2190 4.4 44.3 1.0 CA A:ASP198 4.5 34.3 1.0 CA A:SER197 4.5 28.9 1.0 N A:THR195 4.6 21.2 1.0 OXT A:ALA199 4.6 37.4 1.0 CA A:ALA199 4.7 36.2 1.0 CB A:ARG194 4.7 19.7 1.0 O A:ASP198 4.8 34.9 1.0 O A:GLU193 4.9 16.4 1.0 CA A:THR195 4.9 22.2 1.0

M.W.Vetting, C.H.Park, S.S.Hegde, G.A.Jacoby, D.C.Hooper, J.S.Blanchard. Mechanistic and Structural Analysis of Aminoglycoside N-Acetyltransferase Aac(6')-Ib and Its Bifunctional, Fluoroquinolone-Active Aac(6')-Ib-Cr Variant. Biochemistry V. 47 9825 2008.
ISSN: ISSN 0006-2960
PubMed: 18710261
DOI: 10.1021/BI800664X