Calcium in PDB 7erj: Crystal Structure of V30M-Ttr in Complex with Dichlorophen

The structure of Crystal Structure of V30M-Ttr in Complex with Dichlorophen, PDB code: 7erj was solved by T.Yokoyama, M.Kashihara, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.93 / 1.89
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.639, 85.97, 63.343, 90, 90, 90
R / Rfree (%)	18.6 / 21.1

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

Chlorine

(Cl)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of V30M-Ttr in Complex with Dichlorophen (pdb code 7erj). 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 Dichlorophen, PDB code: 7erj:

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


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 Dichlorophen within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca200 b:67.4 occ:1.00 O B:HOH337 2.4 59.0 1.0 O B:HOH310 2.5 52.6 1.0 OE1 B:GLU66 2.9 51.6 1.0 ND2 B:ASN98 3.3 82.3 1.0 CD B:GLU66 3.8 52.4 1.0 O B:ASP99 3.8 80.7 1.0 OE2 B:GLU66 3.8 48.4 1.0 CG B:ASN98 4.5 64.2 1.0 N B:ASP99 4.7 61.2 1.0 C B:ASP99 4.7 78.2 1.0 CB B:ASP99 4.8 63.1 1.0

T.Yokoyama, M.Kashihara, M.Mizuguchi. Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole As Transthyretin Amyloidogenesis Inhibitors. J.Med.Chem. V. 64 14344 2021.
ISSN: ISSN 0022-2623
PubMed: 34547896
DOI: 10.1021/ACS.JMEDCHEM.1C00823