Calcium in PDB 1v0c: Structure of Aac(6')-Ib in Complex with Kanamycin C and Acetylcoa.

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

The structure of Structure of Aac(6')-Ib in Complex with Kanamycin C and Acetylcoa., PDB code: 1v0c 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 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.399, 57.399, 147.113, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.5

The binding sites of Calcium atom in the Structure of Aac(6')-Ib in Complex with Kanamycin C and Acetylcoa. (pdb code 1v0c). 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 Kanamycin C and Acetylcoa., PDB code: 1v0c:
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 Kanamycin C 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 Kanamycin C and Acetylcoa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1202 b:33.3 occ:1.00 OE2 A:GLU145 2.1 24.5 1.0 O A:HOH2112 2.4 18.1 1.0 O A:HOH2116 2.8 30.1 1.0 CD A:GLU145 3.3 22.3 1.0 CG A:GLU145 4.0 19.0 1.0 OD1 A:ASP143 4.2 14.4 1.0 OE1 A:GLU145 4.3 23.5 1.0 O A:HOH2111 5.0 18.4 1.0

Calcium binding site 2 out of 2 in the Structure of Aac(6')-Ib in Complex with Kanamycin C 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 Kanamycin C and Acetylcoa. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1203 b:38.9 occ:1.00 O A:ARG194 2.5 26.1 1.0 O A:SER197 2.7 39.5 1.0 O A:ALA199 2.8 44.3 1.0 C A:ARG194 3.5 25.5 1.0 C A:SER197 3.7 39.9 1.0 CA A:ARG194 3.9 24.4 1.0 C A:ALA199 4.0 44.2 1.0 OG A:SER197 4.3 39.0 1.0 C A:ASP198 4.4 43.3 1.0 N A:ALA199 4.4 43.4 1.0 CA A:ASP198 4.4 43.3 1.0 CB A:ARG194 4.5 24.4 1.0 N A:ASP198 4.5 41.5 1.0 N A:SER197 4.6 37.5 1.0 N A:THR195 4.7 26.9 1.0 CA A:SER197 4.7 38.9 1.0 OXT A:ALA199 4.7 44.7 1.0 O A:ASP198 4.8 43.5 1.0 CA A:ALA199 4.8 43.9 1.0 O A:GLU193 5.0 20.4 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