Receptor
PDB id Resolution Class Description Source Keywords
1PVC 2.4 Å NON-ENZYME: TOXIN_VIRAL REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2 .9 ANGSTROMS RESOLUTION POLIOVIRUS TYPE 3 (STRAINS P3/LEON/37 AND P3/LEON 12A[1]B) VIRUS ICOSAHEDRAL VIRUS
Ref.: REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2.9 ANGSTROMS RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ILE SER GLU VAL 0:7;
Valid;
none;
submit data
430.502 n/a O=C(N...
MYR 4:1;
Part of Protein;
none;
submit data
228.371 C14 H28 O2 CCCCC...
SPH 1:1000;
Invalid;
none;
submit data
299.492 C18 H37 N O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PVC 2.4 Å NON-ENZYME: TOXIN_VIRAL REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2 .9 ANGSTROMS RESOLUTION POLIOVIRUS TYPE 3 (STRAINS P3/LEON/37 AND P3/LEON 12A[1]B) VIRUS ICOSAHEDRAL VIRUS
Ref.: REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2.9 ANGSTROMS RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 1PVC - ILE SER GLU VAL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 4Q4X - SIA C11 H19 N O9 CC(=O)N[C@....
2 4Q4Y - SIA C11 H19 N O9 CC(=O)N[C@....
3 1PVC - ILE SER GLU VAL n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 1PVC - ILE SER GLU VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ILE SER GLU VAL; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 ILE SER GLU VAL 1 1
2 ILE GLU ILE 0.6 0.813953
3 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.542857 0.790698
4 ILE GLN GLN SER ILE GLU ARG ILE 0.434343 0.807692
5 GLY PRO THR ILE GLU GLU VAL ASP 0.431373 0.711864
6 LEU ALA SER LEU GLU SER GLN SER 0.426966 0.933333
7 ALA LYS GLU LYS SER ASP 0.416667 0.8125
8 ALA ILE GLU THR ASA 0.406977 0.866667
9 SER GLY ILE PHE LEU GLU THR SER 0.401961 0.895833
10 ACE VAL GLU ILE ASA 0.4 0.837209
11 LEU THR GLU PTR VAL ALA THR ARG 0.4 0.644068
12 GLU GLU ILE ASP VAL VAL SER VAL 0.4 0.955556
Similar Ligands (3D)
Ligand no: 1; Ligand: ILE SER GLU VAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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