Calcium in PDB 2wca: BTGH84 in Complex with N-Butyl Pugnac

All present enzymatic activity of BTGH84 in Complex with N-Butyl Pugnac:
3.2.1.52;

The structure of BTGH84 in Complex with N-Butyl Pugnac, PDB code: 2wca was solved by Y.He, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.23 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	186.880, 52.540, 82.100, 90.00, 98.34, 90.00
R / Rfree (%)	19.5 / 24.2

The binding sites of Calcium atom in the BTGH84 in Complex with N-Butyl Pugnac (pdb code 2wca). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the BTGH84 in Complex with N-Butyl Pugnac, PDB code: 2wca:

Calcium binding site 1 out of 1 in the BTGH84 in Complex with N-Butyl Pugnac


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of BTGH84 in Complex with N-Butyl Pugnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca901 b:66.8 occ:1.00 O A:GLU32 2.4 45.0 1.0 OE1 A:GLU61 2.4 38.1 1.0 OD1 A:ASP64 2.6 39.8 1.0 OD2 A:ASP64 3.0 37.9 1.0 CG A:ASP64 3.2 39.3 1.0 C A:GLU32 3.6 45.0 1.0 CD A:GLU61 3.6 35.9 1.0 CB A:GLU61 4.1 34.4 1.0 CG A:GLU61 4.2 34.7 1.0 CA A:ALA33 4.3 41.5 1.0 N A:ALA33 4.3 43.2 1.0 N A:GLU61 4.5 34.8 1.0 OE2 A:GLU61 4.6 36.0 1.0 CA A:GLU32 4.6 46.3 1.0 CB A:ASP64 4.7 38.3 1.0 C A:ALA33 4.7 40.4 1.0 CB A:GLU32 4.8 46.9 1.0 N A:ASN34 4.8 38.9 1.0 CA A:GLU61 4.9 34.7 1.0

M.D.Balcewich, K.A.Stubbs, Y.He, T.W.James, G.J.Davies, D.J.Vocadlo, B.L.Mark. Insight Into A Strategy For Attenuating Ampc- Mediated Beta-Lactam Resistance: Structural Basis For Selective Inhibition of the Glycoside Hydrolase Nagz. Protein Sci. V. 18 1541 2009.
ISSN: ISSN 0961-8368
PubMed: 19499593
DOI: 10.1002/PRO.137