Calcium in PDB 4pwg: Crystal Structure of V30M Mutant Human Transthyretin Complexed with Caffeic Acid Ethyl Ester

The structure of Crystal Structure of V30M Mutant Human Transthyretin Complexed with Caffeic Acid Ethyl Ester, PDB code: 4pwg 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)	30.39 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.190, 85.541, 63.771, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.3

The binding sites of Calcium atom in the Crystal Structure of V30M Mutant Human Transthyretin Complexed with Caffeic Acid Ethyl Ester (pdb code 4pwg). 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 Mutant Human Transthyretin Complexed with Caffeic Acid Ethyl Ester, PDB code: 4pwg:

Calcium binding site 1 out of 1 in the Crystal Structure of V30M Mutant Human Transthyretin Complexed with Caffeic Acid Ethyl Ester


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 Mutant Human Transthyretin Complexed with Caffeic Acid Ethyl Ester within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:65.6 occ:1.00 ND1 A:HIS56 2.5 28.8 1.0 SG A:CYS10 2.7 45.4 1.0 CB A:CYS10 3.0 50.7 1.0 CE1 A:HIS56 3.2 23.3 1.0 CG A:HIS56 3.7 25.0 1.0 CB A:HIS56 4.2 24.4 1.0 NH2 A:ARG104 4.4 59.1 1.0 CG A:MET13 4.4 21.4 1.0 CB A:MET13 4.4 16.9 1.0 NE2 A:HIS56 4.4 25.9 1.0 CA A:CYS10 4.5 42.9 1.0 O A:CYS10 4.5 41.5 1.0 CD2 A:HIS56 4.7 27.6 1.0 CA A:HIS56 4.9 19.0 1.0 C A:CYS10 4.9 37.0 1.0

T.Yokoyama, Y.Kosaka, M.Mizuguchi. Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, Against Amyloidogenesis of Human Transthyretin J.Med.Chem. V. 57 8928 2014.
ISSN: ISSN 0022-2623
PubMed: 25314129
DOI: 10.1021/JM500997M