Calcium in PDB 9h7h: Human Transthyretin in Complex with Isoquinolin-3-Amine

The structure of Human Transthyretin in Complex with Isoquinolin-3-Amine, PDB code: 9h7h was solved by W.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.75 / 1.47
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.64, 42.5, 64.93, 90, 90, 90
R / Rfree (%)	16.2 / 21.5

The binding sites of Calcium atom in the Human Transthyretin in Complex with Isoquinolin-3-Amine (pdb code 9h7h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Transthyretin in Complex with Isoquinolin-3-Amine, PDB code: 9h7h:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Transthyretin in Complex with Isoquinolin-3-Amine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Transthyretin in Complex with Isoquinolin-3-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:27.7 occ:0.80 OE2 A:GLU66 2.5 19.2 1.0 OD1 A:ASP99 2.5 19.7 0.5 O A:ASP99 2.6 18.8 1.0 O A:HOH352 2.6 35.4 1.0 O A:HOH348 3.0 44.4 1.0 CD A:GLU66 3.3 19.7 1.0 OE1 A:GLU66 3.4 17.2 1.0 C A:ASP99 3.6 19.3 1.0 CG A:ASP99 3.6 28.4 0.5 CA A:ASP99 3.8 15.7 1.0 O A:HOH307 3.9 17.7 1.0 O A:HOH309 3.9 25.1 1.0 CB A:ASP99 4.3 21.3 1.0 OD2 A:ASP99 4.4 33.4 0.5 CG A:GLU66 4.6 16.1 1.0 O A:HOH333 4.7 20.4 1.0 O A:ASN98 4.7 17.6 1.0 N A:SER100 4.8 20.6 1.0

Calcium binding site 2 out of 2 in the Human Transthyretin in Complex with Isoquinolin-3-Amine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Transthyretin in Complex with Isoquinolin-3-Amine within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:51.3 occ:1.00 O B:HOH301 2.2 40.8 1.0 O B:HOH308 2.6 37.8 1.0 OE2 B:GLU63 4.4 31.0 0.5 O B:LEU58 4.6 28.1 1.0 O B:PHE44 4.7 26.2 1.0

W.Chen, W.Chen. N/A N/A.
ISSN: ISSN 2692-8205
DOI: 10.1101/2025.02.22.639275