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
Go back to
Gold Binding Sites List in 1a52
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: Wed Jul 10 14:08:51 2024
|