Calcium in PDB 1lhw: Crystal Structure of the N-Terminal Lg-Domain of Shbg in Complex with 2-Methoxyestradiol

The structure of Crystal Structure of the N-Terminal Lg-Domain of Shbg in Complex with 2-Methoxyestradiol, PDB code: 1lhw was solved by G.V.Avvakumov, I.Grishkovskaya, Y.A.Muller, G.L.Hammond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.09 / 1.75
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	103.920, 103.920, 84.460, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 23.8

The binding sites of Calcium atom in the Crystal Structure of the N-Terminal Lg-Domain of Shbg in Complex with 2-Methoxyestradiol (pdb code 1lhw). 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 the N-Terminal Lg-Domain of Shbg in Complex with 2-Methoxyestradiol, PDB code: 1lhw:

Calcium binding site 1 out of 1 in the Crystal Structure of the N-Terminal Lg-Domain of Shbg in Complex with 2-Methoxyestradiol


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 the N-Terminal Lg-Domain of Shbg in Complex with 2-Methoxyestradiol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:28.6 occ:1.00 O A:ALA160 2.3 28.1 1.0 O A:GLU52 2.3 22.6 1.0 O A:HOH531 2.3 31.6 1.0 OD2 A:ASP50 2.3 29.8 1.0 O A:HOH507 2.4 34.2 1.0 OD1 A:ASP50 2.5 30.2 1.0 O A:HOH505 2.5 27.6 1.0 CG A:ASP50 2.7 28.5 1.0 C A:ALA160 3.4 28.1 1.0 C A:GLU52 3.5 23.7 1.0 CA A:LEU161 4.1 30.7 1.0 CB A:ASP50 4.2 26.7 1.0 N A:LEU161 4.2 27.9 1.0 CA A:GLU52 4.3 22.8 1.0 N A:GLU52 4.3 22.7 1.0 N A:GLY53 4.4 21.8 1.0 CA A:GLY53 4.5 20.1 1.0 CA A:ALA160 4.5 27.2 1.0 O A:VAL158 4.5 25.1 1.0 CB A:GLU52 4.5 22.0 1.0 CB A:ALA160 4.6 27.9 1.0 N A:ASP162 4.6 33.8 1.0 O A:HOH569 4.6 48.0 1.0 CD1 A:LEU161 4.7 33.4 1.0 N A:ALA160 4.9 26.2 1.0 C A:LEU161 5.0 32.8 1.0

G.V.Avvakumov, I.Grishkovskaya, Y.A.Muller, G.L.Hammond. Crystal Structure of Human Sex Hormone-Binding Globulin in Complex with 2-Methoxyestradiol Reveals the Molecular Basis For High Affinity Interactions with C-2 Derivatives of Estradiol. J.Biol.Chem. V. 277 45219 2002.
ISSN: ISSN 0021-9258
PubMed: 12228253
DOI: 10.1074/JBC.M207762200