Bromine in PDB 2giu: Human Estrogen Receptor Beta Ligand-Binding Domain in Complex with Compound 45

The structure of Human Estrogen Receptor Beta Ligand-Binding Domain in Complex with Compound 45, PDB code: 2giu was solved by P.M.D.Fitzgerald, N.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.530, 64.530, 251.160, 90.00, 90.00, 120.00
R / Rfree (%)	22.7 / 32.3

The binding sites of Bromine atom in the Human Estrogen Receptor Beta Ligand-Binding Domain in Complex with Compound 45 (pdb code 2giu). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Human Estrogen Receptor Beta Ligand-Binding Domain in Complex with Compound 45, PDB code: 2giu:

Bromine binding site 1 out of 1 in the Human Estrogen Receptor Beta Ligand-Binding Domain in Complex with Compound 45


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Estrogen Receptor Beta Ligand-Binding Domain in Complex with Compound 45 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br600 b:56.2 occ:1.00 BR7 A:FBR600 0.0 56.2 1.0 C6 A:FBR600 1.8 56.5 1.0 C4 A:FBR600 2.7 59.4 1.0 C8 A:FBR600 2.8 48.9 1.0 O5 A:FBR600 2.8 61.1 1.0 C9 A:FBR600 3.4 43.1 1.0 C10 A:FBR600 3.4 39.8 1.0 O A:LEU298 3.9 68.0 1.0 C A:LEU298 4.1 41.7 1.0 CG2 A:THR299 4.1 61.8 1.0 C3 A:FBR600 4.1 58.5 1.0 CB A:LEU298 4.2 37.5 1.0 C1 A:FBR600 4.2 43.4 1.0 N A:THR299 4.2 39.0 1.0 CA A:THR299 4.2 39.9 1.0 CD2 A:LEU476 4.3 71.5 1.0 C2 A:FBR600 4.5 50.1 1.0 CD1 A:LEU476 4.6 49.8 1.0 CB A:ALA302 4.6 23.5 1.0 C15 A:FBR600 4.7 38.4 1.0 CE A:MET336 4.7 36.8 1.0 C11 A:FBR600 4.8 39.5 1.0 CA A:LEU298 4.8 37.2 1.0 CE A:MET295 4.8 27.4 1.0 CG2 A:VAL487 4.8 51.8 1.0 CB A:THR299 4.8 46.1 1.0 C17 A:FBR600 4.9 41.9 1.0

R.R.Wilkening, R.W.Ratcliffe, E.C.Tynebor, K.J.Wildonger, A.K.Fried, M.L.Hammond, R.T.Mosley, P.M.D.Fitzgerald, N.Sharma, B.M.Mckeever, S.Nilsson, M.Carlquist, A.Thorsell, L.Locco, R.Katz, K.Frisch, E.T.Birzin, H.A.Wilkinson, S.Mitra, S.Cai, E.C.Hayes, J.M.Schaeffer, S.P.Rohrer. The Discovery of Tetrahydrofluorenones As A New Class of Estrogen Receptor Beta-Subtype Selective Ligands. Bioorg.Med.Chem.Lett. V. 16 3489 2006.
ISSN: ISSN 0960-894X
PubMed: 16632357
DOI: 10.1016/J.BMCL.2006.03.098