Receptor
PDB id Resolution Class Description Source Keywords
2SEM 2.2 Å NON-ENZYME: SIGNAL_HORMONE SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR CAENORHABDITIS ELEGANS SH3 DOMAIN INHIBITORS PEPTOIDS PROTEIN-PROTEIN RECOGNITIOPROLINE-RICH MOTIFS SIGNAL TRANSDUCTION SIGNALING PROTEINSIGNALING PROTEIN-INHIBITOR COMPLEX
Ref.: EXPLOITING THE BASIS OF PROLINE RECOGNITION BY SH3 DOMAINS: DESIGN OF N-SUBSTITUTED INHIBITORS. SCIENCE V. 282 2088 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE PRO PRO PRO VAL IPG PRO ARG ARG C:1;
D:11;
 Valid;
Valid;
 none;
none;
 submit data
787.984 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SEM 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURAL DETERMINANTS OF PEPTIDE-BINDING ORIENTATION AND OF SEQUENCE SPECIFICITY IN SH3 DOMAINS CAENORHABDITIS ELEGANS SRC-HOMOLOGY 3 (SH3) DOMAIN PEPTIDE-BINDING PROTEIN GUANINE NUCLEOTIDE EXCHANGE FACTOR SIGNAL TRANSDUCTION PROTEIN
Ref.: STRUCTURAL DETERMINANTS OF PEPTIDE-BINDING ORIENTATION AND OF SEQUENCE SPECIFICITY IN SH3 DOMAINS. NATURE V. 372 375 1994
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
2 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
3 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 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 214 families.
1 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
2 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 40 families.
1 6A9C - LYS VAL ALA PRO PRO ILE PRO HIS ARG n/a n/a
2 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL n/a n/a
3 1CKB Kd = 5.2 uM PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG n/a n/a
4 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
5 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
6 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
7 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
8 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
9 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
10 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
11 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
12 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
13 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
14 4HXJ Kd ~ 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE PRO PRO PRO VAL IPG PRO ARG ARG; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE PRO PRO PRO VAL IPG PRO ARG ARG 1 1
2 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.737374 0.983051
3 ARG PRO PRO LYS PRO ARG PRO ARG 0.491803 0.898305
4 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.491667 0.918033
5 PHE PRO ARG 0.439655 0.819672
6 LEU ASP PRO ARG 0.438017 0.84375
7 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.433071 0.933333
8 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.428571 0.932203
9 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.424779 0.78125
10 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.422078 0.876923
11 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.419355 0.811594
12 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.41129 0.836066
13 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.409091 0.833333
14 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.407143 0.848485
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE PRO PRO PRO VAL IPG PRO ARG ARG; 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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