Calcium in PDB 4y9b: Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin

The structure of Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin, PDB code: 4y9b was solved by T.Yokoyama, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.60 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.633, 85.365, 64.703, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.5

The structure of Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin (pdb code 4y9b). 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 Mutated Transthyretin in Complex with Alpha- Mangostin, PDB code: 4y9b:

Calcium binding site 1 out of 1 in the Crystal Structure of V30M Mutated Transthyretin in Complex with Alpha- Mangostin


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 Mutated Transthyretin in Complex with Alpha- Mangostin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:21.9 occ:0.70 O A:HOH313 2.3 27.2 1.0 OE1 A:GLU72 2.7 12.5 0.3 CD A:GLU72 3.9 12.3 0.3 ND1 A:HIS90 4.3 20.7 1.0 CB A:HIS90 4.4 15.6 1.0 O A:HOH395 4.5 30.4 1.0 OE2 A:GLU72 4.5 24.0 0.7 O A:GLU89 4.5 14.8 1.0 O A:HOH337 4.6 28.2 1.0 OD1 A:ASP74 4.6 13.3 1.0 OE2 A:GLU72 4.7 13.1 0.3 CG A:GLU72 4.8 11.8 0.3 CG A:HIS90 4.8 18.4 1.0 CG A:ASP74 4.8 13.2 1.0 O A:HOH328 4.9 26.6 1.0

T.Yokoyama, M.Ueda, Y.Ando, M.Mizuguchi. Discovery of Gamma-Mangostin As An Amyloidogenesis Inhibitor Sci Rep V. 5 13570 2015.
ISSN: ESSN 2045-2322
PubMed: 26310724
DOI: 10.1038/SREP13570