Receptor
PDB id Resolution Class Description Source Keywords
3SEM 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 PROTEININHIBITOR 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
PRO PRO PRO VAL NMC PRO ARG ARG ARG C:2;
D:12;
 Valid;
Valid;
 none;
none;
 submit data
601.769 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: PRO PRO PRO VAL NMC PRO ARG ARG ARG; Similar ligands found: 12
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO PRO PRO VAL NMC PRO ARG 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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