Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG C:1;
D:1;
 Valid;
Valid;
 none;
none;
 Kd = 43 uM
785.968 n/a O=C(C...
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 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
2 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO 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 PRO PRO ARG ARG ARG; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 1 1
2 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.737374 0.983051
3 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.598131 0.901639
4 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.59375 0.793651
5 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.581818 0.949153
6 ARG PRO PRO LYS PRO ARG PRO ARG 0.567568 0.913793
7 PHE PRO ARG 0.514286 0.833333
8 LEU ASP PRO ARG 0.509091 0.828125
9 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.495652 0.948276
10 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.492308 0.863636
11 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.475524 0.890625
12 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.471698 0.844828
13 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.453846 0.833333
14 GLU ARG THR ILE PRO ILE THR ARG GLU 0.451613 0.80597
15 ARG PRO PRO GLY PHE 0.434426 0.854839
16 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.434426 0.854839
17 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.427184 0.847458
18 ACE GLU VAL ALA PRO PRO VAL LPD 0.420168 0.806452
19 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.411765 0.797101
20 ARG ARG ARG GLU ARG SER PRO THR ARG 0.406015 0.779412
21 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.401408 0.876923
22 ACE GLU VAL ASN PRO PRO VAL LPD 0.4 0.769231
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE PRO PRO PRO VAL PRO 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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