Receptor
PDB id Resolution Class Description Source Keywords
3BEJ 1.9 Å EC: 2.3.1.48 STRUCTURE OF HUMAN FXR IN COMPLEX WITH MFA-1 AND CO-ACTIVATO HOMO SAPIENS FXR BAR NR1H4 BILE ACID RECEPTOR NHR NUCLEAR RECEPTOR ACTIVATOR ALTERNATIVE SPLICING DNA-BINDING METAL-BINDINGNUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATIONZINC-FINGER ACYLTRANSFERASE CHROMOSOMAL REARRANGEMENT PHOSPHOPROTEIN POLYMORPHISM PROTO-ONCOGENE TRANSFERASE CONJUGATION TRANSCRIPTION-TRANSFERASE COMPLEX TRANSCRIPTIREGULATOR
Ref.: IDENTIFICATION OF A POTENT SYNTHETIC FXR AGONIST WI UNEXPECTED MODE OF BINDING AND ACTIVATION. PROC.NATL.ACAD.SCI.USA V. 105 5337 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MUF A:473;
B:1;
Valid;
Valid;
none;
none;
submit data
420.541 C27 H32 O4 C[C@]...
YT3 A:1;
B:2;
Invalid;
Invalid;
none;
none;
submit data
88.906 Y [Y+3]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BEJ 1.9 Å EC: 2.3.1.48 STRUCTURE OF HUMAN FXR IN COMPLEX WITH MFA-1 AND CO-ACTIVATO HOMO SAPIENS FXR BAR NR1H4 BILE ACID RECEPTOR NHR NUCLEAR RECEPTOR ACTIVATOR ALTERNATIVE SPLICING DNA-BINDING METAL-BINDINGNUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATIONZINC-FINGER ACYLTRANSFERASE CHROMOSOMAL REARRANGEMENT PHOSPHOPROTEIN POLYMORPHISM PROTO-ONCOGENE TRANSFERASE CONJUGATION TRANSCRIPTION-TRANSFERASE COMPLEX TRANSCRIPTIREGULATOR
Ref.: IDENTIFICATION OF A POTENT SYNTHETIC FXR AGONIST WI UNEXPECTED MODE OF BINDING AND ACTIVATION. PROC.NATL.ACAD.SCI.USA V. 105 5337 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 3BEJ - MUF C27 H32 O4 C[C@]12CC[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3BEJ - MUF C27 H32 O4 C[C@]12CC[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 3BEJ - MUF C27 H32 O4 C[C@]12CC[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MUF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MUF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BEJ; Ligand: MUF; 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: 3bej.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3BEJ; Ligand: MUF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3bej.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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