Receptor
PDB id Resolution Class Description Source Keywords
4CJ6 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE COMPLEX OF THE CELLULAR RETINAL BINDING PROTEIN MUTANT R234W WITH 9-CIS-RETINAL HOMO SAPIENS ISOMERASE VISUAL CYCLE 9-CIS-RETINAL
Ref.: HUMAN CELLULAR RETINALDEHYDE-BINDING PROTEIN HAS SE THERMAL 9-CIS-RETINAL ISOMERASE ACTIVITY. J.AM.CHEM.SOC. V. 136 137 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RET A:1307;
 Valid;
 none;
 submit data
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 552 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 426 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 322 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 (2D)
Ligand no: 1; Ligand: RET; Similar ligands found: 13
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 QVM 0.464789 0.642857
11 45D 0.455882 0.714286
12 6KX 0.425926 0.952381
13 EQ3 0.404762 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: RET; Similar ligands found: 8
No: Ligand Similarity coefficient
1 R12 0.9311
2 OXR 0.9213
3 R13 0.8939
4 C9G 0.8696
5 2RB 0.8657
6 BOG 0.8641
7 LGS 0.8561
8 4BE 0.8545
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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