Gold in PDB 1a52: Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol

The structure of Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol, PDB code: 1a52 was solved by D.M.Tanenbaum, Y.Wang, P.B.Sigler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	147.000, 147.000, 168.900, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 27.4

The binding sites of Gold atom in the Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol (pdb code 1a52). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 6 binding sites of Gold where determined in the Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol, PDB code: 1a52:
Jump to Gold binding site number: 1; 2; 3; 4; 5; 6;

Gold binding site 1 out of 6 in the Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ A:Au2 b:80.6 occ:0.46 NE2 A:HIS476 2.3 57.2 1.0 CE1 A:HIS476 2.9 57.3 1.0 CE1 A:TYR459 3.6 73.3 1.0 CD2 A:HIS476 3.6 57.4 1.0 CD B:ARG434 3.6 52.5 1.0 NE B:ARG434 3.8 55.0 1.0 CD1 A:TYR459 3.9 73.8 1.0 CG2 A:VAL458 3.9 69.1 1.0 CB A:VAL458 3.9 69.2 1.0 CZ B:ARG434 4.1 57.2 1.0 ND1 A:HIS476 4.2 57.4 1.0 NH1 B:ARG434 4.2 58.6 1.0 CZ A:TYR459 4.3 73.3 1.0 O A:VAL458 4.5 71.1 1.0 CG A:HIS476 4.5 57.0 1.0 C A:VAL458 4.5 70.9 1.0 OH A:TYR459 4.6 72.6 1.0 CD A:LYS472 4.7 69.3 1.0 CG A:TYR459 4.8 74.2 1.0 N A:TYR459 4.8 72.7 1.0 CG B:ARG434 4.8 49.0 1.0 CG1 A:VAL458 4.8 70.3 1.0 NH2 B:ARG434 4.9 57.6 1.0 CA A:VAL458 5.0 69.4 1.0

Gold binding site 2 out of 6 in the Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ A:Au3 b:79.6 occ:0.57 SG A:CYS381 2.1 63.4 1.0 CB A:CYS381 3.0 55.5 1.0 CA A:CYS381 3.4 53.0 1.0 O A:HOH559 3.6 41.1 1.0 O A:CYS381 3.9 50.1 1.0 CE1 B:HIS516 4.1 39.7 1.0 C A:CYS381 4.1 50.6 1.0 NE2 B:HIS516 4.2 39.2 1.0 N A:CYS381 4.6 53.2 1.0 O A:SER456 4.7 55.1 1.0 OG1 A:THR460 4.8 79.2 1.0 O A:GLU380 4.9 52.0 1.0

Gold binding site 3 out of 6 in the Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 3 of Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ A:Au5 b:85.3 occ:0.18 O A:HOH562 2.5 43.6 1.0 SG A:CYS417 2.5 80.7 1.0 CB A:CYS417 2.8 78.4 1.0 O A:PHE337 3.2 84.9 1.0 CA A:CYS417 3.8 78.0 1.0 C A:PHE337 3.9 85.1 1.0 CB A:PHE337 4.2 85.3 1.0 O A:CYS417 4.4 77.5 1.0 N A:SER338 4.6 85.0 1.0 C A:CYS417 4.6 77.8 1.0 CA A:SER338 4.6 85.0 1.0 CA A:PHE337 4.7 85.2 1.0 N A:CYS417 5.0 77.1 1.0 N A:GLU339 5.0 84.3 1.0

Gold binding site 4 out of 6 in the Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 4 of Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ B:Au12 b:74.7 occ:0.47 NE2 B:HIS476 2.1 62.4 1.0 CE1 B:HIS476 2.8 62.7 1.0 CD A:ARG434 3.2 57.4 1.0 CD2 B:HIS476 3.3 62.7 1.0 NE A:ARG434 3.3 58.9 1.0 CG2 B:VAL458 3.8 63.0 1.0 CZ A:ARG434 3.9 59.4 1.0 CB B:VAL458 3.9 64.1 1.0 CE1 B:TYR459 3.9 77.3 1.0 ND1 B:HIS476 4.1 63.0 1.0 CD1 B:TYR459 4.2 76.4 1.0 NH1 A:ARG434 4.2 59.8 1.0 CG B:HIS476 4.3 62.4 1.0 O B:VAL458 4.4 67.2 1.0 CD B:LYS472 4.4 71.0 1.0 CG A:ARG434 4.5 55.0 1.0 CZ B:TYR459 4.5 77.5 1.0 C B:VAL458 4.6 66.8 1.0 NH2 A:ARG434 4.6 59.1 1.0 CG1 B:VAL458 4.8 64.9 1.0 OH B:TYR459 4.9 78.3 1.0 N B:TYR459 4.9 69.8 1.0 NZ B:LYS472 5.0 69.6 1.0 CG B:TYR459 5.0 76.0 1.0 CA B:VAL458 5.0 64.4 1.0

Gold binding site 5 out of 6 in the Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 5 of Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ B:Au13 b:72.4 occ:0.58 SG B:CYS381 2.1 52.4 1.0 CB B:CYS381 3.0 46.9 1.0 CA B:CYS381 3.3 45.6 1.0 NE2 A:HIS516 3.7 35.6 1.0 CE1 A:HIS516 3.8 35.7 1.0 O B:CYS381 3.8 46.0 1.0 C B:CYS381 4.0 44.8 1.0 N B:CYS381 4.5 45.6 1.0 CD2 A:HIS516 4.8 35.8 1.0 O B:GLU380 4.8 47.1 1.0 O B:SER456 4.9 49.3 1.0 ND1 A:HIS516 4.9 35.4 1.0 OG1 B:THR460 5.0 79.4 1.0

Gold binding site 6 out of 6 in the Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 6 of Estrogen Receptor Alpha Ligand-Binding Domain Complexed to Estradiol within 5.0Å range: probe atom residue distance (Å) B Occ B:Au15 b:85.3 occ:0.17 O B:HOH40 2.4 56.7 1.0 CB B:CYS417 2.8 78.6 1.0 SG B:CYS417 2.8 79.7 1.0 CA B:CYS417 3.0 78.3 1.0 O B:HOH39 3.0 38.9 1.0 N B:CYS417 3.7 77.7 1.0 O B:PHE337 4.0 85.3 1.0 C B:CYS417 4.2 78.8 1.0 C B:LYS416 4.4 76.9 1.0 O B:LYS416 4.6 76.6 1.0 O B:CYS417 4.6 79.3 1.0

D.M.Tanenbaum, Y.Wang, S.P.Williams, P.B.Sigler. Crystallographic Comparison of the Estrogen and Progesterone Receptor'S Ligand Binding Domains. Proc.Natl.Acad.Sci.Usa V. 95 5998 1998.
ISSN: ISSN 0027-8424
PubMed: 9600906
DOI: 10.1073/PNAS.95.11.5998