Receptor
PDB id Resolution Class Description Source Keywords
3HX3 1.69 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CRALBP MUTANT R234W HOMO SAPIENS LIPID TRANSFER PROTEIN 11-CIS-RETINAL BOTHNIA DYSTROPHY ACETYLATION CYTOPLASM DISEASE MUTATION RETINITIS PIGMENTOSA RETINOL-BINDING SENSORY TRANSDUCTION TRANSPORT VISION TRANSPORT PROTEIN
Ref.: BOTHNIA DYSTROPHY IS CAUSED BY DOMINO-LIKE REARRANGEMENTS IN CELLULAR RETINALDEHYDE-BINDING PROTEIN MUTANT R234W. PROC.NATL.ACAD.SCI.USA V. 106 18545 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RET A:400;
Valid;
none;
Kd ~ 10 nM
284.436 C20 H28 O CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HX3 1.69 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CRALBP MUTANT R234W HOMO SAPIENS LIPID TRANSFER PROTEIN 11-CIS-RETINAL BOTHNIA DYSTROPHY ACETYLATION CYTOPLASM DISEASE MUTATION RETINITIS PIGMENTOSA RETINOL-BINDING SENSORY TRANSDUCTION TRANSPORT VISION TRANSPORT PROTEIN
Ref.: BOTHNIA DYSTROPHY IS CAUSED BY DOMINO-LIKE REARRANGEMENTS IN CELLULAR RETINALDEHYDE-BINDING PROTEIN MUTANT R234W. PROC.NATL.ACAD.SCI.USA V. 106 18545 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4CJ6 - RET C20 H28 O CC1=C(C(CC....
2 3HX3 Kd ~ 10 nM RET C20 H28 O CC1=C(C(CC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4CJ6 - RET C20 H28 O CC1=C(C(CC....
2 3HX3 Kd ~ 10 nM RET C20 H28 O CC1=C(C(CC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4CJ6 - RET C20 H28 O CC1=C(C(CC....
2 3HX3 Kd ~ 10 nM RET C20 H28 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RET; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RET 1 1
2 BCR 0.811321 0.863636
3 AZE 0.75 0.904762
4 REA 0.704918 0.84
5 9CR 0.704918 0.84
6 RNE 0.688525 0.655172
7 RTL 0.688525 0.740741
8 ECH 0.647059 0.84
9 ETR 0.641791 0.636364
10 45D 0.455882 0.714286
11 6KX 0.425926 0.952381
12 EQ3 0.404762 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HX3; Ligand: RET; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3hx3.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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