Receptor
PDB id Resolution Class Description Source Keywords
5OCA 2.3 Å EC: 3.4.21.- PCSK9:FAB COMPLEX WITH DEXTRAN SULFATE HOMO SAPIENS HYDROLASE PROTEIN FAB COMPLEX AUTOCATALYTIC CLEAVAGE CHOLMETABOLISM DISEASE MUTATION DISULFIDE BOND GLYCOPROTEINMETABOLISM PHOSPHOPROTEIN PROTEASE SECRETED SERINE PROTSTEROID METABOLISM ZYMOGEN HYDROLASE-IMMUNE SYSTEM COMPLE
Ref.: HEPARAN SULFATE PROTEOGLYCANS PRESENT PCSK9 TO THE RECEPTOR. NAT COMMUN V. 8 503 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9QZ A:201;
Valid;
Atoms found LESS than expected: % Diff = 0;
Kd = 180 uM
742.612 C12 H22 O26 S5 C([C@...
NA B:702;
B:701;
Part of Protein;
Part of Protein;
none;
none;
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22.99 Na [Na+]
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OCA 2.3 Å EC: 3.4.21.- PCSK9:FAB COMPLEX WITH DEXTRAN SULFATE HOMO SAPIENS HYDROLASE PROTEIN FAB COMPLEX AUTOCATALYTIC CLEAVAGE CHOLMETABOLISM DISEASE MUTATION DISULFIDE BOND GLYCOPROTEINMETABOLISM PHOSPHOPROTEIN PROTEASE SECRETED SERINE PROTSTEROID METABOLISM ZYMOGEN HYDROLASE-IMMUNE SYSTEM COMPLE
Ref.: HEPARAN SULFATE PROTEOGLYCANS PRESENT PCSK9 TO THE RECEPTOR. NAT COMMUN V. 8 503 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5OCA Kd = 180 uM 9QZ C12 H22 O26 S5 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 5OCA Kd = 180 uM 9QZ C12 H22 O26 S5 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5OCA Kd = 180 uM 9QZ C12 H22 O26 S5 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9QZ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 9QZ 1 1
2 PDX PDX 0.56338 0.941176
3 EU8 0.52 0.979592
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OCA; Ligand: 9QZ; 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: 5oca.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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