Mercury in PDB 1hj1: Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex with Pure Antioestrogen ICI164,384

The structure of Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex with Pure Antioestrogen ICI164,384, PDB code: 1hj1 was solved by A.C.W.Pike, A.M.Brzozowski, M.Carlquist, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.380, 82.670, 106.340, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 25.1

The structure of Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex with Pure Antioestrogen ICI164,384 also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Mercury atom in the Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex with Pure Antioestrogen ICI164,384 (pdb code 1hj1). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex with Pure Antioestrogen ICI164,384, PDB code: 1hj1:

Mercury binding site 1 out of 1 in the Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex with Pure Antioestrogen ICI164,384


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex with Pure Antioestrogen ICI164,384 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1437 b:56.4 occ:1.00 HG A:PMB1437 0.0 56.4 1.0 C4 A:PMB1437 2.0 59.0 1.0 SG A:CYS289 2.3 49.0 1.0 C3 A:PMB1437 3.0 59.2 1.0 O A:SER288 3.0 42.1 1.0 C5 A:PMB1437 3.0 58.6 1.0 NH2 A:ARG421 3.1 40.8 1.0 CB A:CYS289 3.1 40.8 1.0 CA A:CYS289 3.4 40.4 1.0 C A:SER288 3.5 43.0 1.0 OE2 A:GLU292 3.6 53.1 1.0 OG A:SER288 3.6 51.9 1.0 CZ A:ARG421 3.7 42.8 1.0 N A:CYS289 3.7 39.8 1.0 OE1 A:GLU292 3.8 52.0 1.0 CD A:GLU292 4.1 48.5 1.0 NE A:ARG421 4.1 46.6 1.0 CB A:SER288 4.2 46.5 1.0 C2 A:PMB1437 4.3 61.3 1.0 C6 A:PMB1437 4.3 60.8 1.0 NH1 A:ARG421 4.4 44.0 1.0 CA A:SER288 4.5 45.0 1.0 C1 A:PMB1437 4.8 61.7 1.0 C A:CYS289 4.9 37.9 1.0

A.C.W.Pike, A.M.Brzozowski, J.Walton, R.E.Hubbard, A.G.Thorsell, Y.L.Li, J.A.Gustafsson, M.Carlquist. Structural Insights Into the Mode of Action of A Pure Antiestrogen Structure V. 9 145 2001.
ISSN: ISSN 0969-2126
PubMed: 11250199
DOI: 10.1016/S0969-2126(01)00568-8