The binding sites of Mercury atom in the structure of Rat Oestrogen Receptor Beta Ligand-Binding Domain in Complex With Pure Antioestrogen ICI164,384 (pdb code 1hj1). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1hj1 structure was solved by A.C.W.PIKE, A.M.BRZOZOWSKI, M.CARLQUIST, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-2.3 | | Space group | I212121 | | a (A) | 60.380 | | b (A) | 82.670 | | c (A) | 106.340 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 21.966 | | Rfree (%) | 25.051 |
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Mercury binding site 1 out of 1 in 1hj1
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1hj1. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ser288, A: Cys289, A: Glu292, A: Arg421, A: Pmb1437, | conact list:
| Atom | Atom | Distance (A) | | Hg | O A:Ser288 | 2.99 | | Hg | CB A:Ser288 | 4.22 | | Hg | OG A:Ser288 | 3.65 | | Hg | C A:Ser288 | 3.51 | | Hg | CA A:Ser288 | 4.54 | | Hg | N A:Cys289 | 3.70 | | Hg | CB A:Cys289 | 3.12 | | Hg | SG A:Cys289 | 2.34 | | Hg | C A:Cys289 | 4.89 | | Hg | CA A:Cys289 | 3.41 | | Hg | OE1 A:Glu292 | 3.76 | | Hg | OE2 A:Glu292 | 3.59 | | Hg | CD A:Glu292 | 4.06 | | Hg | CZ A:Arg421 | 3.69 | | Hg | NE A:Arg421 | 4.13 | | Hg | NH2 A:Arg421 | 3.07 | | Hg | NH1 A:Arg421 | 4.45 | | Hg | C6 A:Pmb1437 | 4.30 | | Hg | HG A:Pmb1437 | 0.00 | | Hg | C5 A:Pmb1437 | 3.00 | | Hg | C4 A:Pmb1437 | 2.05 | | Hg | C1 A:Pmb1437 | 4.81 | | Hg | C3 A:Pmb1437 | 2.95 | | Hg | C2 A:Pmb1437 | 4.26 |
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