Receptor
PDB id Resolution Class Description Source Keywords
5YGF 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER PAPI EXTENDED T DOMAIN (D287A) IN COMPLEX WITH PIWI N-TERMINAL R10-UNME PEP DROSOPHILA MELANOGASTER PIRNA COMPLEX EXTENDED TUDOR DOMAIN PROTEIN BINDING
Ref.: STRUCTURAL INSIGHTS INTO THE SEQUENCE-SPECIFIC RECO OF PIWI BYDROSOPHILAPAPI PROC. NATL. ACAD. SCI. V. 115 3374 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP GLN GLY ARG GLY ARG ARG ARG PRO D:4;
 Valid;
 Atoms found LESS than expected: % Diff = 0.013;
 Kd = 0.62 uM
1085.24 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YGF 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER PAPI EXTENDED T DOMAIN (D287A) IN COMPLEX WITH PIWI N-TERMINAL R10-UNME PEP DROSOPHILA MELANOGASTER PIRNA COMPLEX EXTENDED TUDOR DOMAIN PROTEIN BINDING
Ref.: STRUCTURAL INSIGHTS INTO THE SEQUENCE-SPECIFIC RECO OF PIWI BYDROSOPHILAPAPI PROC. NATL. ACAD. SCI. V. 115 3374 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5YGF Kd = 0.62 uM ASP GLN GLY ARG GLY ARG ARG ARG PRO n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5YGF Kd = 0.62 uM ASP GLN GLY ARG GLY ARG ARG ARG PRO 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 1144 families.
1 5YGF Kd = 0.62 uM ASP GLN GLY ARG GLY ARG ARG ARG PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP GLN GLY ARG GLY ARG ARG ARG PRO; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP GLN GLY ARG GLY ARG ARG ARG PRO 1 1
2 ASP LEU THR ARG PRO 0.568965 0.861538
3 ARG GLU ARG SER PRO THR ARG 0.553571 0.918033
4 SER ARG SEP SER PRO 0.508475 0.80597
5 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.496183 0.84375
6 GLY HIS ARG PRO NH2 0.491667 0.868852
7 GLY ARG LEU LEU PRO 0.482759 0.852459
8 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.479167 0.818182
9 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.459677 0.75
10 GLY PRO ARG PRO 0.455357 0.913793
11 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.44 0.863636
12 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.425806 0.826087
13 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.419118 0.84375
14 ALA PRO ASP THR ARG PRO ALA PRO 0.41791 0.876923
15 ARG ARG ALA SEP ALA PRO LEU PRO 0.416667 0.774648
16 GLY ARG GLY ASP SER PRO 0.410256 0.716667
17 GLU ARG GLY SER GLY ARG 0.408333 0.737705
18 GLU ARG GLY MET THR 0.406504 0.626866
19 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.40458 0.866667
20 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.401361 0.848485
21 ARG ARG GLY ILE NH2 0.4 0.672131
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP GLN GLY ARG GLY ARG ARG ARG PRO; 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 : 5YGF; Ligand: ASP GLN GLY ARG GLY ARG ARG ARG PRO; 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: 5ygf.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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