Calcium in PDB 5gn8: Structure of A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign

All present enzymatic activity of Structure of A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign:
1.16.3.1;

The structure of Structure of A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign, PDB code: 5gn8 was solved by S.Zhang, J.Zang, G.Zhao, B.Mikami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.74 / 2.81
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	236.120, 236.120, 236.120, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 25.1

The binding sites of Calcium atom in the Structure of A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign (pdb code 5gn8). 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 A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign, PDB code: 5gn8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:75.8 occ:1.00 OE1 A:GLU27 2.2 70.8 1.0 OE1 A:GLU62 2.2 64.4 1.0 OE2 A:GLU62 2.9 64.8 1.0 CD A:GLU62 2.9 64.2 1.0 CD A:GLU27 2.9 68.1 1.0 OE2 A:GLU27 3.0 72.0 1.0 OE1 A:GLU107 3.7 73.0 1.0 O A:HOH302 3.7 53.4 1.0 OE2 A:GLU107 3.8 69.1 1.0 CD2 A:HIS65 3.8 78.5 1.0 CG1 A:VAL110 4.1 76.0 1.0 CD A:GLU107 4.2 69.0 1.0 CG2 A:THR135 4.2 89.8 1.0 CG A:GLU62 4.4 63.4 1.0 CG A:GLU27 4.4 68.4 1.0 NE2 A:HIS65 4.7 82.7 1.0 CG A:HIS65 4.7 79.0 1.0 CB A:GLU62 4.9 63.5 1.0 CB A:GLU27 4.9 66.7 1.0

Calcium binding site 2 out of 2 in the Structure of A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A 48-Mer Protein Nanocage Fabricated From Its 24-Mer Analogue By Subunit Interface Redesign within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:0.3 occ:1.00 OE1 B:GLU61 2.7 0.8 1.0 OE1 B:GLN58 3.1 0.5 1.0 OD1 B:ASP144 3.4 0.9 1.0 NE2 B:GLN58 3.6 93.2 1.0 CD B:GLN58 3.7 87.4 1.0 CD B:GLU61 3.9 0.0 1.0 O B:LYS140 3.9 98.9 1.0 OE2 B:GLU61 4.5 0.9 1.0 CG B:ASP144 4.5 0.5 1.0 CE1 B:HIS65 4.7 97.0 1.0 CA B:LYS140 4.8 82.3 1.0 C B:LYS140 4.8 83.0 1.0 OD2 B:ASP144 4.8 0.1 1.0 CB B:GLU61 4.8 81.6 1.0 O B:ILE139 4.9 78.2 1.0 OE2 B:GLU62 4.9 72.6 1.0 CG B:GLU61 5.0 96.3 1.0

S.Zhang, J.Zang, X.Zhang, H.Chen, B.Mikami, G.Zhao. "Silent" Amino Acid Residues at Key Subunit Interfaces Regulate the Geometry of Protein Nanocages Acs Nano V. 10 10382 2016.
ISSN: ESSN 1936-086X
PubMed: 27934076
DOI: 10.1021/ACSNANO.6B06235