Calcium in PDB 6pyf: Sex Hormone-Binding Globulin Mutant E176K in Complex with Estradiol

The structure of Sex Hormone-Binding Globulin Mutant E176K in Complex with Estradiol, PDB code: 6pyf was solved by P.W.Round, T.S.Wu, S.Das, F.Van Petegem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.63 / 1.73
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	51.876, 51.876, 149.613, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22

The binding sites of Calcium atom in the Sex Hormone-Binding Globulin Mutant E176K in Complex with Estradiol (pdb code 6pyf). 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 Sex Hormone-Binding Globulin Mutant E176K in Complex with Estradiol, PDB code: 6pyf:

Calcium binding site 1 out of 1 in the Sex Hormone-Binding Globulin Mutant E176K in Complex with Estradiol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Sex Hormone-Binding Globulin Mutant E176K in Complex with Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:25.2 occ:1.00 O A:HOH476 2.2 28.4 1.0 O A:GLU52 2.3 22.9 1.0 OD2 A:ASP50 2.3 27.9 1.0 O A:ALA160 2.4 26.6 1.0 O A:HOH505 2.4 28.4 1.0 O A:HOH514 2.5 33.5 1.0 OD1 A:ASP50 2.5 26.8 1.0 CG A:ASP50 2.7 27.8 1.0 HA A:LEU161 3.4 34.4 1.0 C A:GLU52 3.5 25.2 1.0 C A:ALA160 3.6 29.1 1.0 H A:GLU52 3.6 25.5 1.0 HB3 A:GLU52 3.7 26.8 1.0 H A:ASP162 4.0 34.6 1.0 HD12 A:LEU161 4.0 34.1 1.0 HA3 A:GLY53 4.0 26.5 1.0 HB3 A:ALA160 4.2 38.1 1.0 CB A:ASP50 4.2 26.1 1.0 CA A:GLU52 4.3 21.9 1.0 O A:HOH562 4.3 33.8 1.0 CA A:LEU161 4.3 28.6 1.0 N A:GLU52 4.3 21.2 1.0 O A:HOH583 4.3 43.9 1.0 N A:LEU161 4.4 27.9 1.0 CB A:GLU52 4.4 22.2 1.0 N A:GLY53 4.4 22.1 1.0 HA2 A:GLY53 4.5 26.5 1.0 O A:VAL158 4.5 24.8 1.0 HB3 A:ASP50 4.5 31.3 1.0 CA A:GLY53 4.5 22.1 1.0 HD2 A:PRO51 4.5 33.6 1.0 CA A:ALA160 4.6 26.4 1.0 HB2 A:ASP50 4.6 31.3 1.0 OD2 A:ASP162 4.6 32.4 0.5 HG2 A:GLU52 4.7 26.4 1.0 N A:ASP162 4.7 28.8 1.0 HD13 A:LEU161 4.7 34.1 1.0 CB A:ALA160 4.8 31.7 1.0 CD1 A:LEU161 4.8 28.4 1.0 HG12 A:VAL158 4.8 35.2 1.0 HB A:VAL158 4.9 34.6 1.0 N A:ALA160 4.9 25.6 1.0 HB1 A:ALA160 4.9 38.1 1.0

P.Round, S.Das, T.S.Wu, K.Wahala, F.Van Petegem, G.L.Hammond. Molecular Interactions Between Sex Hormone-Binding Globulin and Non-Steroidal Ligands That Enhance Androgen Action. J.Biol.Chem. 2019.
ISSN: ESSN 1083-351X
PubMed: 31852737
DOI: 10.1074/JBC.RA119.011051