Calcium in PDB 8ii2: Crystal Structure of V30M-Ttr in Complex with Bbm

The structure of Crystal Structure of V30M-Ttr in Complex with Bbm, PDB code: 8ii2 was solved by T.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.57 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.675, 85.109, 64.398, 90, 90, 90
R / Rfree (%)	18.9 / 23.6

The structure of Crystal Structure of V30M-Ttr in Complex with Bbm also contains other interesting chemical elements:

Bromine

(Br)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of V30M-Ttr in Complex with Bbm (pdb code 8ii2). 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 V30M-Ttr in Complex with Bbm, PDB code: 8ii2:

Calcium binding site 1 out of 1 in the Crystal Structure of V30M-Ttr in Complex with Bbm


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 V30M-Ttr in Complex with Bbm within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca200 b:34.6 occ:1.00 O B:HOH326 2.3 34.1 1.0 O B:HOH319 2.4 39.0 1.0 OD2 B:ASP99 2.4 38.1 1.0 OD1 B:ASP99 2.5 44.8 1.0 O B:PHE64 2.5 32.0 1.0 O B:HOH339 2.5 41.0 1.0 O B:HOH334 2.7 41.2 1.0 CG B:ASP99 2.8 43.9 1.0 C B:PHE64 3.8 30.2 1.0 O B:HOH318 4.1 40.5 1.0 CB B:ASP99 4.3 38.1 1.0 CA B:VAL65 4.3 30.8 1.0 O B:GLU61 4.4 30.7 1.0 O B:HOH311 4.5 39.2 1.0 N B:VAL65 4.5 29.7 1.0 CD2 B:PHE64 4.6 40.2 1.0 O B:HOH341 4.6 45.6 1.0 C B:VAL65 4.7 36.8 1.0 CB B:PHE64 4.7 27.8 1.0 OE1 B:GLU61 4.8 47.1 1.0 CA B:PHE64 4.8 35.5 1.0 N B:GLU66 4.9 31.9 1.0 CG B:PHE64 5.0 29.0 1.0

M.Mizuguchi, T.Yokoyama, T.Okada, Y.Nakagawa, K.Fujii, Y.Nabeshima, N.Toyooka. Benziodarone and 6-Hydroxybenziodarone Are Potent and Selective Inhibitors of Transthyretin Amyloidogenesis. Bioorg.Med.Chem. V. 90 17370 2023.
ISSN: ESSN 1464-3391
PubMed: 37311373
DOI: 10.1016/J.BMC.2023.117370