Calcium in PDB 4nwo: Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15

All present enzymatic activity of Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15:
5.4.99.5;

The structure of Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15, PDB code: 4nwo was solved by D.E.Mcnamara, N.P.King, J.B.Bale, W.Sheffler, D.Baker, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.49 / 2.80
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	213.520, 213.520, 213.520, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 25.2

The binding sites of Calcium atom in the Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15 (pdb code 4nwo). 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 Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15, PDB code: 4nwo:

Calcium binding site 1 out of 1 in the Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:0.5 occ:1.00 OD1 A:ASP126 2.6 92.2 1.0 OD1 A:ASP66 2.9 0.2 1.0 OD2 A:ASP126 3.3 85.4 1.0 CG A:ASP126 3.3 81.9 1.0 O A:ALA62 3.5 77.9 1.0 CG A:ASP66 4.0 0.7 1.0 OG A:SER127 4.7 96.9 1.0 C A:ALA62 4.7 71.8 1.0 CA A:ASP66 4.7 91.0 1.0 CB A:ASP126 4.7 78.6 1.0 CB A:ASP66 4.8 96.6 1.0 OD2 A:ASP66 4.9 0.1 1.0 O A:ASP63 4.9 85.5 1.0 N A:ASP126 4.9 77.4 1.0

N.P.King, J.B.Bale, W.Sheffler, D.E.Mcnamara, S.Gonen, T.Gonen, T.O.Yeates, D.Baker. Accurate Design of Co-Assembling Multi-Component Protein Nanomaterials Nature 2014.
ISSN: ESSN 1476-4687
DOI: 10.1038/NATURE13297