Receptor
PDB id Resolution Class Description Source Keywords
2PKA 2.05 Å EC: 3.4.21.35 REFINED 2 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF PORCINE PANCREATIC KALLIKREIN A, A SPECIFIC TRYPSIN-LIKE SERINE P ROTEINASE. CRYSTALLIZATION, STRUCTURE DETERMINATION, CR YSTALLOGRAPHIC REFINEMENT, STRUCTURE AND ITS COMPARISON WIT H BOVINE TRY SUS SCROFA SERINE PROTEINASE
Ref.: REFINED 2 A X-RAY CRYSTAL STRUCTURE OF PORCINE PANCREATIC KALLIKREIN A, A SPECIFIC TRYPSIN-LIKE SERINE PROTEINASE. CRYSTALLIZATION, STRUCTURE DETERMINATION, CRYSTALLOGRAPHIC REFINEMENT, STRUCTURE AND ITS COMPARISON WITH BOVINE TRYPSIN. J.MOL.BIOL.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEN B:1;
Y:1;
Valid;
Valid;
none;
none;
submit data
120.152 C7 H8 N2 [H]/N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PKA 2.05 Å EC: 3.4.21.35 REFINED 2 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF PORCINE PANCREATIC KALLIKREIN A, A SPECIFIC TRYPSIN-LIKE SERINE P ROTEINASE. CRYSTALLIZATION, STRUCTURE DETERMINATION, CR YSTALLOGRAPHIC REFINEMENT, STRUCTURE AND ITS COMPARISON WIT H BOVINE TRY SUS SCROFA SERINE PROTEINASE
Ref.: REFINED 2 A X-RAY CRYSTAL STRUCTURE OF PORCINE PANCREATIC KALLIKREIN A, A SPECIFIC TRYPSIN-LIKE SERINE PROTEINASE. CRYSTALLIZATION, STRUCTURE DETERMINATION, CRYSTALLOGRAPHIC REFINEMENT, STRUCTURE AND ITS COMPARISON WITH BOVINE TRYPSIN. J.MOL.BIOL.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PKA - BEN C7 H8 N2 [H]/N=C(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PKA - BEN C7 H8 N2 [H]/N=C(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2PKA - BEN C7 H8 N2 [H]/N=C(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BEN 1 1
2 BAM 0.52 0.941176
3 NTN 0.481481 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PKA; Ligand: BEN; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 2pka.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1OSS BEN 39.4737
2 2VH6 GSV 46.25
3 1NFU RRP 46.25
4 4BTI 7R9 46.25
5 1FIW PBZ 47.3684
6 2B7D C1B 48.75
7 2P3T 993 50
8 2H9E DTY ILE ARG LEU LPD 50
Pocket No.: 2; Query (leader) PDB : 2PKA; Ligand: BEN; 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: 2pka.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2PKA; Ligand: BEN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2pka.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2PKA; Ligand: BEN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2pka.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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