Calcium in PDB 2wzh: BTGH84 D242N in Complex with Meumb-Derived Oxazoline

All present enzymatic activity of BTGH84 D242N in Complex with Meumb-Derived Oxazoline:
3.2.1.52;

The structure of BTGH84 D242N in Complex with Meumb-Derived Oxazoline, PDB code: 2wzh 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)	90.92 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.760, 52.290, 86.930, 90.00, 100.20, 90.00
R / Rfree (%)	18.593 / 22.739

The binding sites of Calcium atom in the BTGH84 D242N in Complex with Meumb-Derived Oxazoline (pdb code 2wzh). 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 D242N in Complex with Meumb-Derived Oxazoline, PDB code: 2wzh:

Calcium binding site 1 out of 1 in the BTGH84 D242N in Complex with Meumb-Derived Oxazoline


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of BTGH84 D242N in Complex with Meumb-Derived Oxazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1591 b:65.9 occ:1.00 OD1 A:ASP64 2.5 37.2 1.0 OE1 A:GLU61 2.5 36.8 1.0 OD2 A:ASP64 2.5 34.4 1.0 O A:GLU32 2.6 42.4 1.0 O A:HOH2010 2.7 49.5 1.0 CG A:ASP64 2.9 37.9 1.0 O A:HOH2042 3.1 49.6 1.0 CD A:GLU61 3.6 35.1 1.0 C A:GLU32 3.7 42.5 1.0 CB A:GLU61 3.8 34.4 1.0 CG A:GLU61 4.1 33.6 1.0 N A:GLU61 4.1 33.8 1.0 CA A:ALA33 4.3 37.6 1.0 CB A:ASP64 4.4 37.9 1.0 N A:ALA33 4.4 40.5 1.0 CB A:GLU32 4.5 47.2 1.0 CA A:GLU61 4.5 34.0 1.0 OE2 A:GLU61 4.5 33.0 1.0 CA A:GLU32 4.6 46.1 1.0 O A:GLU61 4.6 36.8 1.0 C A:ALA33 4.9 36.5 1.0 O A:HOH2011 4.9 44.6 1.0 C A:GLU61 5.0 35.8 1.0

Y.He, M.S.Macauley, K.A.Stubbs, D.J.Vocadlo, G.J.Davies. Visualizing the Reaction Coordinate of An O-Glcnac Hydrolase J.Am.Chem.Soc. V. 132 1807 2010.
ISSN: ISSN 0002-7863
PubMed: 20067256
DOI: 10.1021/JA9086769