Receptor
PDB id Resolution Class Description Source Keywords
4APO 1.9 Å NON-ENZYME: SIGNAL_HORMONE AIP TPR DOMAIN IN COMPLEX WITH HUMAN TOMM20 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
ALA GLU ASP ASP VAL GLU E:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 12.3 uM
672.601 n/a O=C([...
SO4 B:1327;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
12P B:1326;
Invalid;
none;
submit data
546.646 C24 H50 O13 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4APO 1.9 Å NON-ENZYME: SIGNAL_HORMONE AIP TPR DOMAIN IN COMPLEX WITH HUMAN TOMM20 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 263 families.
1 4APO Kd = 12.3 uM ALA GLU ASP ASP VAL GLU 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 196 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 171 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
Ligand no: 1; Ligand: ALA GLU ASP ASP VAL GLU; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLU ASP ASP VAL GLU 1 1
2 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.590909 0.813953
3 ALA DGL 0.551724 0.756757
4 ACE THR GLU ASP VAL VAL CYS CYS 0.541176 0.795455
5 ALA SER ASN GLU ASP MET GLU THR MET 0.539326 0.705882
6 ACE ASP GLU VAL ASP 0QE 0.533333 0.837209
7 GLU GLU ILE ASP VAL VAL SER VAL 0.511364 0.8
8 ALA SER ASN GLU ASN MET GLU THR MET 0.494382 0.705882
9 ACE MET GLU GLU VAL ASP 0.481928 0.795455
10 ASP THR GLU MET GLU GLU VAL ASP 0.47191 0.787234
11 ALA SER ASN GLU ASN ILE GLU THR MET 0.463918 0.692308
12 ALA SER ASN GLU ASN ALA GLU THR MET 0.458333 0.705882
13 MET ASN GLU ASN ILE 0.455696 0.833333
14 SER ARG MET GLU GLU VAL ASP 0.450549 0.75
15 ARG GLU ASP GLN GLU THR ALA VAL 0.450549 0.857143
16 ALA ASP SER ASN PRO ILE ARG PRO VAL THR 0.447761 0.738095
17 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.443396 0.686275
18 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.44 0.891892
19 ALA GLU THR PHE 0.435294 0.75
20 PRO THR VAL GLU GLU VAL ASP 0.434783 0.72
21 ASN ASN LEU GLN ASP GLY THR GLU VAL 0.434211 0.790698
22 GLU ASP LEU 0.430556 0.894737
23 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.429907 0.692308
24 GLY VAL ASP ASP ASP 0.426667 0.871795
25 ALA ZGL 0.421875 0.815789
26 ACE ASP GLU VAL ASP 0QE DTT 0.421053 0.666667
27 LYS GLN THR SER VAL 0.419753 0.777778
28 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.419643 0.679245
29 GLU VAL TYR GLU SER 0.419355 0.708333
30 ALA ILE GLU THR ASA 0.418605 0.790698
31 LEU GLU 0.41791 0.789474
32 ALA GLU THR PHE TYR VAL ASP GLY 0.417476 0.75
33 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.413793 0.672727
34 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.411765 0.708333
35 GLY ASP GLU GLU THR GLY GLU 0.408602 0.755556
36 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.408602 0.853659
37 VAL THR THR ASP ILE GLN VAL LYS VAL 0.405941 0.765957
38 GLU LEU ASP 1OL VAL GLU PHE 0.405405 0.795455
39 LYS GLU LYS 0.405405 0.756098
40 ASP GLU THR ASN LEU 0.404494 0.818182
41 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.404255 0.770833
42 TYR ASP GLN ILE IL0 ILE GLU 0.401961 0.755556
43 VAL THR SER VAL VAL 0.4 0.72093
44 VAL GLN GLN GLU SER SER PHE VAL MET 0.4 0.692308
45 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
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