Receptor
PDB id Resolution Class Description Source Keywords
4AIF 2.01 Å NON-ENZYME: SIGNAL_HORMONE AIP TPR DOMAIN IN COMPLEX WITH HUMAN HSP90 PEPTIDE HOMO SAPIENS SIGNALING PROTEIN-PEPTIDE COMPLEX ARYL HYDROCARBON RECEPTOR
Ref.: STRUCTURE OF THE TPR DOMAIN OF AIP: LACK OF CLIENT INTERACTION WITH THE C-TERMINAL ALPHA-7 HELIX OF TH DOMAIN OF AIP IS SUFFICIENT FOR PITUITARY ADENOMA PREDISPOSITION. PLOS ONE V. 7 53339 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER ARG MET GLU GLU VAL ASP E:1;
D:1;
 Valid;
Valid;
 none;
none;
 Kd = 18.6 uM
747.824 n/a S(CCC...
SO4 A:1316;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AIF 2.01 Å NON-ENZYME: SIGNAL_HORMONE AIP TPR DOMAIN IN COMPLEX WITH HUMAN HSP90 PEPTIDE HOMO SAPIENS SIGNALING PROTEIN-PEPTIDE COMPLEX ARYL HYDROCARBON RECEPTOR
Ref.: STRUCTURE OF THE TPR DOMAIN OF AIP: LACK OF CLIENT INTERACTION WITH THE C-TERMINAL ALPHA-7 HELIX OF TH DOMAIN OF AIP IS SUFFICIENT FOR PITUITARY ADENOMA PREDISPOSITION. PLOS ONE V. 7 53339 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 4AIF Kd = 18.6 uM SER ARG MET GLU GLU VAL ASP n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4AIF Kd = 18.6 uM SER ARG MET GLU GLU VAL ASP n/a n/a
2 4APO Kd = 12.3 uM ALA GLU ASP ASP VAL GLU n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4AIF Kd = 18.6 uM SER ARG MET GLU GLU VAL ASP n/a n/a
2 4APO Kd = 12.3 uM ALA GLU ASP ASP VAL GLU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER ARG MET GLU GLU VAL ASP; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 SER ARG MET GLU GLU VAL ASP 1 1
2 ACE MET GLU GLU VAL ASP 0.625 0.82
3 ASP THR GLU MET GLU GLU VAL ASP 0.591398 0.803922
4 GLY SER LYS MET GLU GLU VAL ASP 0.582524 0.90566
5 ALA SER ASN GLU ASN ALA GLU THR MET 0.513761 0.903846
6 MET GLU ASP TPO GLN ALA ILE ASP 0.479339 0.745763
7 ALA SER ASN GLU ASP MET GLU THR MET 0.472727 0.903846
8 ALA SER ASN GLU ASN MET GLU THR MET 0.462963 0.903846
9 ACE MET GLU GLU VAL PHE 0.448598 0.754717
10 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.444444 0.716667
11 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.441667 0.833333
12 ACE MET LEU SER VAL GLU GLU GLU GLY 0.441441 0.884615
13 ALA GLU ASP ASP VAL GLU 0.43299 0.74
14 SER LEU LYS LEU MET THR THR VAL 0.432432 0.903846
15 PRO THR VAL GLU GLU VAL ASP 0.431193 0.724138
16 GLU ALA THR GLN LEU MET ASN 0.431034 0.9
17 ASP ARG VAL TYR 0.428571 0.678571
18 GLU GLU ILE ASP VAL VAL SER VAL 0.423423 0.918367
19 VAL GLN GLN GLU SER SER PHE VAL MET 0.421488 0.923077
20 HIS MET THR GLU VAL VAL ARG ARG CYS 0.419118 0.701493
21 ALA SER ASN GLU ASN ILE GLU THR MET 0.415254 0.923077
22 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.412698 0.75
23 ILE LEU ASN ALA MET ILE VAL LYS ILE 0.408 0.865385
24 LEU ALA SER LEU GLU SER GLN SER 0.407407 0.897959
25 ACE THR GLU ASP VAL VAL CYS CYS 0.40367 0.82
26 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.403361 0.769231
Similar Ligands (3D)
Ligand no: 1; Ligand: SER ARG MET GLU GLU VAL ASP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback