Calcium in PDB 4mrc: Human Transthyretin SER52PRO Mutant

The structure of Human Transthyretin SER52PRO Mutant, PDB code: 4mrc was solved by W.J.Chen, S.P.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.07 / 1.54
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.410, 42.020, 63.680, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 22.8

The binding sites of Calcium atom in the Human Transthyretin SER52PRO Mutant (pdb code 4mrc). 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 SER52PRO Mutant, PDB code: 4mrc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Transthyretin SER52PRO Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Transthyretin SER52PRO Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:28.4 occ:0.80 O A:HOH352 2.3 34.2 1.0 O A:HOH351 2.3 37.7 1.0 O A:HOH344 2.3 38.1 1.0 OE2 A:GLU66 2.4 23.7 1.0 O A:ASP99 2.6 22.6 1.0 OD1 A:ASP99 2.7 33.6 1.0 CD A:GLU66 3.2 20.8 1.0 O A:HOH334 3.3 34.6 1.0 OE1 A:GLU66 3.5 22.1 1.0 C A:ASP99 3.6 24.0 1.0 CG A:ASP99 3.7 34.6 1.0 CA A:ASP99 3.8 19.8 1.0 O A:HOH320 3.9 25.2 1.0 CB A:ASP99 4.4 23.6 1.0 OD2 A:ASP99 4.5 39.6 1.0 CG A:GLU66 4.6 24.2 1.0 O A:ASN98 4.7 20.7 1.0 N A:SER100 4.8 20.8 1.0 O A:HOH329 4.8 26.5 1.0

Calcium binding site 2 out of 2 in the Human Transthyretin SER52PRO Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Transthyretin SER52PRO Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:38.2 occ:0.50 ND2 B:ASN98 1.8 42.4 0.8 O B:HOH328 2.3 40.0 1.0 O B:HOH327 2.3 34.9 1.0 OE2 B:GLU66 2.6 33.5 1.0 CG B:ASN98 3.0 35.1 0.8 CD B:GLU66 3.4 32.5 1.0 OD1 B:ASN98 3.5 48.9 0.8 OE1 B:GLU66 3.6 30.8 1.0 CB B:ASN98 4.1 34.9 0.8 CA B:ASN98 4.7 27.9 0.8 N B:ASP99 4.7 38.2 0.8 CG B:GLU66 4.8 27.0 1.0 O B:ASP99 4.9 41.5 0.8

P.P.Mangione, R.Porcari, J.D.Gillmore, P.Pucci, M.Monti, M.Porcari, S.Giorgetti, L.Marchese, S.Raimondi, L.C.Serpell, W.Chen, A.Relini, J.Marcoux, I.R.Clatworthy, G.W.Taylor, G.A.Tennent, C.V.Robinson, P.N.Hawkins, M.Stoppini, S.P.Wood, M.B.Pepys, V.Bellotti. Proteolytic Cleavage of SER52PRO Variant Transthyretin Triggers Its Amyloid Fibrillogenesis. Proc.Natl.Acad.Sci.Usa V. 111 1539 2014.
ISSN: ISSN 0027-8424
PubMed: 24474780
DOI: 10.1073/PNAS.1317488111