Calcium in PDB 6kd5: Crystal Structure of Extracellular Domain of Mspl in Complex with Furin Inhibitor

The structure of Crystal Structure of Extracellular Domain of Mspl in Complex with Furin Inhibitor, PDB code: 6kd5 was solved by A.Ohno, N.Maita, Y.Okumura, T.Nikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.96 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.840, 62.400, 171.630, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 24

The binding sites of Calcium atom in the Crystal Structure of Extracellular Domain of Mspl in Complex with Furin Inhibitor (pdb code 6kd5). 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 Crystal Structure of Extracellular Domain of Mspl in Complex with Furin Inhibitor, PDB code: 6kd5:

Calcium binding site 1 out of 1 in the Crystal Structure of Extracellular Domain of Mspl in Complex with Furin Inhibitor


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 Extracellular Domain of Mspl in Complex with Furin Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca806 b:29.7 occ:1.00 O A:VAL204 2.3 30.0 1.0 OD2 A:ASP217 2.3 31.1 1.0 O A:VAL209 2.3 33.2 1.0 OE2 A:GLU218 2.4 28.5 1.0 OD1 A:ASP207 2.4 31.1 1.0 OD2 A:ASP211 2.5 31.9 1.0 CG A:ASP207 3.4 31.7 1.0 CG A:ASP217 3.4 28.9 1.0 CG A:ASP211 3.5 37.0 1.0 C A:VAL204 3.5 34.5 1.0 CD A:GLU218 3.5 26.6 1.0 C A:VAL209 3.6 35.1 1.0 N A:VAL204 3.9 33.6 1.0 CB A:ASP217 4.0 28.4 1.0 OD2 A:ASP207 4.0 29.4 1.0 N A:ASP211 4.0 34.0 1.0 CG A:GLU218 4.1 26.6 1.0 CA A:VAL204 4.2 34.7 1.0 N A:VAL209 4.2 32.4 1.0 CB A:ASP211 4.2 34.4 1.0 N A:ASP207 4.3 32.0 1.0 OD1 A:ASP211 4.3 40.1 1.0 O A:ASP217 4.4 25.6 1.0 N A:CYS206 4.4 37.5 1.0 CA A:VAL209 4.4 34.3 1.0 N A:VAL210 4.5 33.9 1.0 OD1 A:ASP217 4.5 28.0 1.0 OE1 A:GLU218 4.5 26.3 1.0 CB A:ASP207 4.5 32.5 1.0 CA A:VAL210 4.5 36.1 1.0 N A:ARG205 4.5 36.2 1.0 CB A:VAL204 4.5 37.4 1.0 N A:GLY208 4.6 30.6 1.0 C A:ASP217 4.6 26.8 1.0 CG2 A:VAL209 4.7 34.8 1.0 C A:VAL210 4.8 36.3 1.0 C A:ARG205 4.8 38.8 1.0 CA A:ARG205 4.8 39.6 1.0 CA A:ASP207 4.8 31.8 1.0 CA A:ASP211 4.8 33.8 1.0 C A:ASP207 4.9 29.7 1.0 CB A:VAL209 4.9 34.3 1.0 CA A:ASP217 5.0 27.1 1.0

G.Giordano-Attianese, P.Gainza, E.Gray-Gaillard, E.Cribioli, S.Shui, S.Kim, M.J.Kwak, S.Vollers, A.J.Corria Osorio, P.Reichenbach, J.Bonet, B.H.Oh, M.Irving, G.Coukos, B.E.Correia. A Computationally Designed Chimeric Antigen Receptor Provides A Small-Molecule Safety Switch For T-Cell Therapy. Nat.Biotechnol. V. 38 426 2020.
ISSN: ISSN 1087-0156
PubMed: 32015549
DOI: 10.1038/S41587-019-0403-9