Calcium in PDB 4n85: Crystal Structure of Human Transthyretin

The structure of Crystal Structure of Human Transthyretin, PDB code: 4n85 was solved by T.Yokoyama, Y.Kosaka, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.66 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.880, 85.110, 65.320, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.9

The binding sites of Calcium atom in the Crystal Structure of Human Transthyretin (pdb code 4n85). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Human Transthyretin, PDB code: 4n85:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Human Transthyretin


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 Human Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:45.3 occ:1.00 ND1 A:HIS56 2.3 30.1 1.0 SG A:CYS10 2.6 43.4 1.0 CE1 A:HIS56 3.1 25.0 1.0 CB A:CYS10 3.1 45.4 1.0 CG A:HIS56 3.4 21.8 1.0 N A:CYS10 3.8 56.3 1.0 CB A:HIS56 3.9 21.9 1.0 CA A:CYS10 4.1 45.4 1.0 NE2 A:HIS56 4.3 30.9 1.0 CG A:MET13 4.5 23.2 1.0 CD2 A:HIS56 4.5 23.6 1.0 NH2 A:ARG104 4.5 63.8 1.0 CA A:HIS56 4.6 19.1 1.0 O A:HOH681 4.7 45.0 1.0 CB A:MET13 4.7 20.0 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Human Transthyretin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:58.4 occ:1.00 O A:HOH684 2.3 42.6 1.0 OD1 A:ASP99 2.5 54.1 1.0 O A:HOH679 2.5 43.7 1.0 OE1 A:GLU66 2.5 34.7 1.0 O A:ASP99 2.7 43.8 1.0 CD A:GLU66 3.2 34.6 1.0 OE2 A:GLU66 3.4 29.7 1.0 C A:ASP99 3.6 37.7 1.0 CG A:ASP99 3.7 48.7 1.0 CA A:ASP99 3.9 29.1 1.0 CB A:ASP99 4.4 38.8 1.0 O A:HOH642 4.5 36.5 1.0 CG A:GLU66 4.6 31.7 1.0 OD2 A:ASP99 4.6 54.0 1.0 N A:SER100 4.8 35.0 1.0 O A:ASN98 5.0 31.6 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Human Transthyretin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:55.5 occ:1.00 ND1 B:HIS56 2.4 31.9 1.0 SG B:CYS10 2.8 58.6 1.0 CB B:CYS10 3.1 48.3 1.0 CE1 B:HIS56 3.2 30.0 1.0 CG B:HIS56 3.4 35.2 1.0 NH2 B:ARG104 3.8 65.3 1.0 CB B:HIS56 3.8 29.6 1.0 N B:CYS10 4.2 53.5 1.0 CA B:CYS10 4.2 46.7 1.0 NE2 B:HIS56 4.4 35.9 1.0 CG B:MET13 4.5 26.9 1.0 CD2 B:HIS56 4.5 37.8 1.0 CA B:HIS56 4.6 30.4 1.0 CB B:MET13 4.7 22.0 1.0

T.Yokoyama, Y.Kosaka, M.Mizuguchi. Crystal Structures of Human Transthyretin Complexed with Glabridin J.Med.Chem. V. 57 1090 2014.
ISSN: ISSN 0022-2623
PubMed: 24422526
DOI: 10.1021/JM401832J