Calcium in PDB 8bad: TPP80AA1

The structure of TPP80AA1, PDB code: 8bad was solved by H.L.Best, L.J.Williamson, P.J.Rizkallah, C.Berry, E.Lloyd-Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.72 / 1.81
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	133.827, 63.853, 107.292, 90, 120.4, 90
R / Rfree (%)	17.9 / 21

The binding sites of Calcium atom in the TPP80AA1 (pdb code 8bad). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the TPP80AA1, PDB code: 8bad:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the TPP80AA1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of TPP80AA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:62.5 occ:1.00 OD1 A:ASN132 2.3 44.5 1.0 OD1 A:ASN36 2.4 42.8 1.0 O A:ILE85 2.4 37.9 1.0 OD1 A:ASN84 2.5 40.5 1.0 O A:VAL37 2.5 39.2 1.0 O A:VAL133 2.6 39.7 1.0 CG A:ASN132 3.2 47.2 1.0 CG A:ASN36 3.3 44.3 1.0 CG A:ASN84 3.3 41.3 1.0 C A:ILE85 3.5 38.8 1.0 C A:VAL37 3.6 38.9 1.0 ND2 A:ASN36 3.6 44.4 1.0 N A:VAL133 3.6 40.9 1.0 N A:ILE85 3.6 39.5 1.0 C A:VAL133 3.6 39.8 1.0 N A:VAL37 3.6 40.4 1.0 ND2 A:ASN132 3.6 48.4 1.0 ND2 A:ASN84 3.7 40.9 1.0 CA A:ILE85 4.0 37.9 1.0 CA A:VAL37 4.0 38.0 1.0 CA A:VAL133 4.0 39.5 1.0 O A:HOH662 4.1 42.0 1.0 CB A:ILE85 4.3 37.4 1.0 CB A:VAL37 4.3 36.8 1.0 CB A:VAL133 4.3 38.3 1.0 C A:ASN132 4.5 42.7 1.0 CB A:ASN132 4.5 46.9 1.0 C A:ASN36 4.6 41.4 1.0 CB A:ASN36 4.6 44.7 1.0 C A:ASN84 4.6 40.2 1.0 CA A:ASN132 4.6 44.6 1.0 CB A:ASN84 4.6 42.3 1.0 CA A:ASN36 4.7 43.1 1.0 N A:GLN86 4.7 37.3 1.0 CA A:ASN84 4.7 41.1 1.0 N A:GLN38 4.7 38.9 1.0 N A:GLN134 4.8 39.9 1.0

Calcium binding site 2 out of 2 in the TPP80AA1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of TPP80AA1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:52.7 occ:1.00 OD1 B:ASN36 2.4 25.2 1.0 OD1 B:ASN132 2.4 29.1 1.0 O B:ILE85 2.4 26.2 1.0 OD1 B:ASN84 2.5 27.4 1.0 O B:VAL37 2.5 24.8 1.0 O B:VAL133 2.6 27.4 1.0 CG B:ASN36 3.3 25.4 1.0 CG B:ASN132 3.3 29.0 1.0 CG B:ASN84 3.3 28.6 1.0 C B:ILE85 3.5 26.2 1.0 C B:VAL37 3.5 25.2 1.0 ND2 B:ASN36 3.6 27.1 1.0 ND2 B:ASN84 3.6 27.1 1.0 N B:ILE85 3.6 26.7 1.0 C B:VAL133 3.6 28.0 1.0 N B:VAL133 3.6 26.6 1.0 ND2 B:ASN132 3.6 30.1 1.0 N B:VAL37 3.6 24.0 1.0 CA B:ILE85 4.0 26.9 1.0 CA B:VAL37 4.0 24.3 1.0 CA B:VAL133 4.0 27.3 1.0 CB B:VAL133 4.3 26.4 1.0 CB B:VAL37 4.3 23.7 1.0 CB B:ILE85 4.3 26.5 1.0 C B:ASN132 4.5 27.1 1.0 C B:ASN36 4.5 24.4 1.0 CB B:ASN36 4.5 25.7 1.0 C B:ASN84 4.5 28.1 1.0 CB B:ASN132 4.6 28.7 1.0 CB B:ASN84 4.6 29.0 1.0 CA B:ASN36 4.6 24.2 1.0 CA B:ASN132 4.6 27.9 1.0 CA B:ASN84 4.6 28.0 1.0 N B:GLN86 4.7 24.2 1.0 N B:GLN38 4.7 26.2 1.0 N B:GLN134 4.8 29.1 1.0

H.L.Best, L.J.Williamson, M.Lipka-Lloyd, H.Waller-Evans, E.Lloyd-Evans, P.J.Rizkallah, C.Berry. The Crystal Structure of Bacillus Thuringiensis TPP80AA1 and Its Interaction with Galactose-Containing Glycolipids. Toxins V. 14 2022.
ISSN: ESSN 2072-6651
PubMed: 36548760
DOI: 10.3390/TOXINS14120863