Receptor
PDB id Resolution Class Description Source Keywords
6S1V 1.64 Å EC: 3.6.1.23 CRYSTAL STRUCTURE OF DIMERIC M-PMV PROTEASE D26N MUTANT IN C WITH INHIBITOR MASON-PFIZER MONKEY VIRUS MASON-PFIZER MONKEY VIRUS M-PMV RETROVIRUS RETROPEPSIN APROTEASE DIMERIZATION INHIBITOR FLAP STRUCTURE HYDROLAS
Ref.: COMPARISON OF A RETROVIRAL PROTEASE IN MONOMERIC AN STATES. ACTA CRYSTALLOGR D STRUCT V. 75 904 2019 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO 0A1 VAL PSA ALA MET THR I:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.032;
 submit data
860.043 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6S1V 1.64 Å EC: 3.6.1.23 CRYSTAL STRUCTURE OF DIMERIC M-PMV PROTEASE D26N MUTANT IN C WITH INHIBITOR MASON-PFIZER MONKEY VIRUS MASON-PFIZER MONKEY VIRUS M-PMV RETROVIRUS RETROPEPSIN APROTEASE DIMERIZATION INHIBITOR FLAP STRUCTURE HYDROLAS
Ref.: COMPARISON OF A RETROVIRAL PROTEASE IN MONOMERIC AN STATES. ACTA CRYSTALLOGR D STRUCT V. 75 904 2019 BIOL
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 6S1V - PRO 0A1 VAL PSA ALA MET THR n/a n/a
2 6S1U - PRO 0A1 VAL PSA ALA MET THR n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 6S1V - PRO 0A1 VAL PSA ALA MET THR n/a n/a
2 6S1U - PRO 0A1 VAL PSA ALA MET THR n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6S1V - PRO 0A1 VAL PSA ALA MET THR n/a n/a
2 6S1U - PRO 0A1 VAL PSA ALA MET THR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO 0A1 VAL PSA ALA MET THR; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO 0A1 VAL PSA ALA MET THR 1 1
2 ALA VAL TYR ASN PHE ALA THR MET 0.464286 0.913793
3 LYS MET ASN THR GLN PHE THR ALA VAL 0.455782 0.806452
4 CYS VAL PHE MET 0.430894 0.724138
5 THR LYS CYS VAL PHE MET 0.423358 0.816667
6 ALA ILE PHE GLN SER SER MET THR LYS 0.418919 0.777778
7 ALA GLU THR PHE TYR VAL ASP GLY 0.413043 0.842105
8 VAL GLN GLN GLU SER SER PHE VAL MET 0.410072 0.8
9 ACE MET GLU GLU VAL PHE 0.409449 0.741379
10 ALA THR ILE GLY THR ALA MET TYR LYS 0.4 0.852459
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO 0A1 VAL PSA ALA MET THR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6S1V; Ligand: PRO 0A1 VAL PSA ALA MET THR; 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: 6s1v.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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