Receptor
PDB id Resolution Class Description Source Keywords
3LKF 1.9 Å NON-ENZYME: TOXIN_VIRAL LEUKOCIDIN F (HLGB) FROM STAPHYLOCOCCUS AUREUS WITH PHOSPHOCHOLINE BOUND STAPHYLOCOCCUS AUREUS LEUKOTOXIN HEMOLYSIN PORE-FORMING TOXIN
Ref.: CRYSTAL STRUCTURE OF STAPHYLOCOCCAL LUKF DELINEATES CONFORMATIONAL CHANGES ACCOMPANYING FORMATION OF A TRANSMEMBRANE CHANNEL. NAT.STRUCT.BIOL. V. 6 134 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PC A:300;
Valid;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LKF 1.9 Å NON-ENZYME: TOXIN_VIRAL LEUKOCIDIN F (HLGB) FROM STAPHYLOCOCCUS AUREUS WITH PHOSPHOCHOLINE BOUND STAPHYLOCOCCUS AUREUS LEUKOTOXIN HEMOLYSIN PORE-FORMING TOXIN
Ref.: CRYSTAL STRUCTURE OF STAPHYLOCOCCAL LUKF DELINEATES CONFORMATIONAL CHANGES ACCOMPANYING FORMATION OF A TRANSMEMBRANE CHANNEL. NAT.STRUCT.BIOL. V. 6 134 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 3LKF - PC C5 H15 N O4 P C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 3LKF - PC C5 H15 N O4 P C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 3LKF - PC C5 H15 N O4 P C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LKF; Ligand: PC; 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: 3lkf.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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