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 289 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 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: ALA GLU ASP ASP VAL GLU; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLU ASP ASP VAL GLU 1 1
2 ALA GLU LYS ASP GLU LEU 0.558442 0.818182
3 ALA DGL 0.551724 0.815789
4 ACE ASP GLU VAL ASP 0QE 0.546667 0.857143
5 ACE THR GLU ASP VAL VAL CYS CYS 0.542169 0.777778
6 ALA SER ASN GLU ASP MET GLU THR MET 0.539326 0.72549
7 ACE MET GLU GLU VAL ASP 0.532468 0.777778
8 ACE ASP GLU VAL ASP ASP GLU VAL ASP 0.52 0.923077
9 ACE ASP GLU 0.5 0.794872
10 GLU GLU ILE ASP VAL VAL SER VAL 0.494382 0.804348
11 ALA SER ASN GLU ASN MET GLU THR MET 0.494382 0.72549
12 ALA LYS GLU LYS SER ASP 0.4875 0.744681
13 ASP THR GLU MET GLU GLU VAL ASP 0.481928 0.76087
14 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.479167 0.8
15 ASP ALA ASP GLU GLU ASP PHE 0.476744 0.902439
16 ALA SER ASN GLU ASN ILE GLU THR MET 0.463918 0.711538
17 ALA SER ASN GLU ASN ALA GLU THR MET 0.458333 0.72549
18 ACE ASP GLU VAL ASP 0QE DTT 0.451613 0.654545
19 ALA GLU THR PHE 0.440476 0.755556
20 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.44 0.894737
21 PRO THR VAL GLU GLU VAL ASP 0.43956 0.711538
22 SER ARG MET GLU GLU VAL ASP 0.43299 0.74
23 MET ASN GLU ASN ILE 0.43038 0.857143
24 ARG GLU ASP GLN GLU THR ALA VAL 0.430108 0.880952
25 GLU ASP LEU 0.424658 0.897436
26 ALA ILE GLU THR ASA 0.423529 0.795455
27 GLY SER LYS MET GLU GLU VAL ASP 0.42268 0.698113
28 ALA ZGL 0.421875 0.842105
29 GLY VAL ASP ASP ASP 0.421053 0.853659
30 THR LEU ILE ASP LEU THR GLU LEU ILE 0.421053 0.818182
31 LYS GLN THR SER VAL 0.419753 0.8
32 ARG ARG ARG GLU THR GLN VAL 0.419355 0.711538
33 VAL LEU GLU ASP ARG ILE 0.418605 0.875
34 ALA GLU THR PHE TYR VAL ASP GLY 0.417476 0.755102
35 ACE VAL GLU ILE ASA 0.416667 0.85
36 ACE MET GLU GLU VAL PHE 0.413043 0.708333
37 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.411215 0.755102
38 VAL LEU CIR ASP ASP LEU LEU GLU ALA 0.404255 0.826087
39 GLU VAL TYR GLU SER 0.404255 0.714286
40 VAL ASP ASP ASP MET 0.402597 0.795455
41 GLU LEU ASP 1OL VAL GLU PHE 0.401786 0.8
42 LYS VAL LYS 0.4 0.790698
43 VAL THR SER VAL VAL 0.4 0.727273
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA GLU ASP ASP VAL GLU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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