Calcium in PDB 7qp1: Crystal Structure of Metacaspase From Candida Glabrata with Calcium

The structure of Crystal Structure of Metacaspase From Candida Glabrata with Calcium, PDB code: 7qp1 was solved by L.Conchou, L.Ballut, S.Violot, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.99 / 3.00
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	97.37, 97.37, 54.6, 90, 90, 120
R / Rfree (%)	20.8 / 26.1

The structure of Crystal Structure of Metacaspase From Candida Glabrata with Calcium also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Metacaspase From Candida Glabrata with Calcium (pdb code 7qp1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Metacaspase From Candida Glabrata with Calcium, PDB code: 7qp1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Metacaspase From Candida Glabrata with Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Metacaspase From Candida Glabrata with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:94.4 occ:1.00 OD2 A:ASP214 2.1 94.2 1.0 OG1 A:THR242 2.4 83.3 1.0 OD1 A:ASP198 2.6 127.1 1.0 OD1 A:ASP245 2.6 98.3 1.0 O A:THR242 2.8 81.8 1.0 O A:HOH501 2.9 92.8 1.0 O A:GLY196 2.9 109.7 1.0 CG A:ASP214 3.2 98.6 1.0 CB A:THR242 3.3 69.8 1.0 CG A:ASP198 3.6 131.8 1.0 OD1 A:ASP214 3.6 105.8 1.0 CG A:ASP245 3.7 91.4 1.0 C A:THR242 3.8 77.1 1.0 OD2 A:ASP198 3.9 129.4 1.0 CA A:ASP245 4.0 78.4 1.0 C A:GLY196 4.1 110.7 1.0 CA A:THR242 4.2 75.9 1.0 N A:ASP245 4.4 84.5 1.0 CB A:ASP214 4.5 92.0 1.0 N A:ASP198 4.5 140.3 1.0 CG2 A:THR242 4.5 73.0 1.0 CB A:ASP245 4.5 80.5 1.0 OD2 A:ASP245 4.6 88.0 1.0 N A:ASP199 4.7 99.4 1.0 CB A:ASP198 4.8 130.1 1.0 CA A:GLY196 4.8 116.2 1.0 OD1 A:ASP199 4.9 101.4 1.0 N A:VAL243 5.0 79.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Metacaspase From Candida Glabrata with Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Metacaspase From Candida Glabrata with Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:85.7 occ:1.00 OD2 B:ASP214 2.2 82.0 1.0 OD1 B:ASP198 2.3 104.3 1.0 OD1 B:ASP245 2.3 91.8 1.0 OG1 B:THR242 2.5 82.3 1.0 O B:THR242 2.7 75.4 1.0 O B:GLY196 3.0 86.6 1.0 O B:HOH503 3.2 84.3 1.0 CG B:ASP198 3.3 109.5 1.0 CG B:ASP245 3.4 83.8 1.0 CG B:ASP214 3.4 83.2 1.0 CB B:THR242 3.5 71.6 1.0 OD2 B:ASP198 3.6 105.9 1.0 C B:THR242 3.8 71.5 1.0 C B:GLY196 3.9 97.5 1.0 CA B:ASP245 4.0 74.8 1.0 OD1 B:ASP214 4.1 90.9 1.0 OD2 B:ASP245 4.2 83.0 1.0 N B:ASP198 4.3 107.3 1.0 CA B:THR242 4.3 73.5 1.0 CB B:ASP245 4.3 74.9 1.0 N B:ASP245 4.3 76.5 1.0 CA B:GLY196 4.5 106.4 1.0 CB B:ASP214 4.5 73.2 1.0 N B:ASP199 4.5 89.0 1.0 CB B:ASP198 4.7 112.2 1.0 CG2 B:THR242 4.7 73.6 1.0 N B:MET197 4.8 102.3 1.0 N B:VAL243 4.9 75.1 1.0 CA B:ASP198 4.9 104.0 1.0

L.Conchou, B.Doumeche, F.Galisson, S.Violot, C.Dugelay, E.Diesis, A.Page, A.L.Bienvenu, S.Picot, N.Aghajari, L.Ballut. Structural and Molecular Determinants of Candida Glabrata Metacaspase Maturation and Activation By Calcium. Commun Biol V. 5 1158 2022.
ISSN: ESSN 2399-3642
PubMed: 36316540
DOI: 10.1038/S42003-022-04091-4