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

Protein crystallography data

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

Gold Binding Sites:

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 1a52

Go back to Gold Binding Sites List in 1a52
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 1a52

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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 1a52

Go back to Gold Binding Sites List in 1a52
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 1a52

Go back to Gold Binding Sites List in 1a52
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 1a52

Go back to Gold Binding Sites List in 1a52
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 1a52

Go back to Gold Binding Sites List in 1a52
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

Reference:

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
Page generated: Sat Dec 12 01:52:55 2020

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