Nickel 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:

Mercury

(Hg)

1 atom

The binding sites of Nickel 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 Nickel atom.
In total 2 binding sites of Nickel where determined in the Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex with Pure Antioestrogen ICI164,384, PDB code: 1hj1:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 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 Nickel with other atoms in the Ni 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:Ni1438 b:63.0 occ:1.00 NE2 A:HIS263 2.1 54.5 1.0 CD2 A:HIS263 3.0 50.0 1.0 CE1 A:HIS263 3.2 50.2 1.0 O A:HOH2007 4.1 42.4 1.0 CG A:HIS263 4.2 50.5 1.0 ND1 A:HIS263 4.2 50.6 1.0 CG A:PRO233 4.7 50.0 1.0

Nickel binding site 2 out of 2 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 Nickel with other atoms in the Ni binding site number 2 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:Ni1439 b:56.6 occ:0.50 NE2 A:HIS305 2.1 58.4 1.0 CD2 A:HIS305 2.9 57.5 1.0 CE1 A:HIS305 3.2 58.1 1.0 CB A:ASP304 3.9 58.1 1.0 CG A:HIS305 4.1 58.8 1.0 ND1 A:HIS305 4.2 59.7 1.0 O A:ARG301 4.5 38.5 1.0 OD2 A:ASP304 4.6 62.9 1.0 CG A:ASP304 4.8 61.5 1.0 CA A:ASP304 4.8 54.8 1.0 N A:ASP304 4.9 48.7 1.0 C A:ASP304 4.9 55.3 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