Receptor
PDB id Resolution Class Description Source Keywords
2W0Z 1.7 Å NON-ENZYME: SIGNAL_HORMONE GRB2 SH3C (3) HOMO SAPIENS SIGNALING PROTEIN POLYMORPHISM PHOSPHOPROTEIN GOLGI APPARATUS ALTERNATIVE SPLICING HOST-VIRUS INTERACTION SH3C GRB2 SIGNALING SH2 DOMAIN SH3 DOMAIN
Ref.: DISTINCT BINDING MODES OF TWO EPITOPES IN GAB2 THAT INTERACT WITH THE SH3C DOMAIN OF GRB2. STRUCTURE V. 17 809 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA PRO PRO PRO ARG PRO PRO LYS PRO B:6;
Valid;
none;
submit data
943.185 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W0Z 1.7 Å NON-ENZYME: SIGNAL_HORMONE GRB2 SH3C (3) HOMO SAPIENS SIGNALING PROTEIN POLYMORPHISM PHOSPHOPROTEIN GOLGI APPARATUS ALTERNATIVE SPLICING HOST-VIRUS INTERACTION SH3C GRB2 SIGNALING SH2 DOMAIN SH3 DOMAIN
Ref.: DISTINCT BINDING MODES OF TWO EPITOPES IN GAB2 THAT INTERACT WITH THE SH3C DOMAIN OF GRB2. STRUCTURE V. 17 809 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS 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 196 families.
1 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 2O9V Kd = 288 uM VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 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 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
8 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
9 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
10 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
11 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
12 3THK - PRO PRO PRO VAL PRO PRO TYR SER ALA GLY n/a n/a
13 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
14 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
15 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
16 4HXJ Kd = 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA PRO PRO PRO ARG PRO PRO LYS PRO; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA PRO PRO PRO ARG PRO PRO LYS PRO 1 1
2 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.715686 0.948276
3 ARG PRO PRO LYS PRO ARG PRO ARG 0.642202 0.963636
4 GLY PRO ARG PRO 0.631579 0.946429
5 ALA PRO ASP THR ARG PRO 0.573913 0.846154
6 ALA PRO ASP THR ARG PRO ALA PRO 0.508197 0.846154
7 ARG PRO LYS PRO LEU VAL ASP PRO 0.5 0.915254
8 ALA PRO ASP SER ARG PRO A2G 0.485714 0.753425
9 THR LYS PRO ARG 0.485714 0.894737
10 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.482143 0.775862
11 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.479339 0.931035
12 ALA PRO ASP THR ARG PRO A2G 0.472222 0.753425
13 ALA PRO ASP CYS ARG PRO A2G 0.471831 0.733333
14 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.459854 0.818182
15 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.451613 0.671429
16 ALA PRO PRO ALA 0.445652 0.745455
17 ARG GLU ARG SER PRO THR ARG 0.443478 0.825397
18 PRO PRO LYS LYS LYS ARG LYS VAL 0.442623 0.913793
19 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.439189 0.808824
20 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.4375 0.948276
21 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.435484 0.915254
22 ASP LEU THR ARG PRO 0.434426 0.776119
23 ARG PRO LYS ARG ILE ALA 0.433071 0.868852
24 PRO PRO LYS ARG ILE ALA 0.430769 0.868852
25 SER PRO LYS ARG ILE ALA 0.429688 0.8
26 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.429577 0.859375
27 ARG ARG ALA SEP ALA PRO LEU PRO 0.427536 0.797101
28 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.426087 0.754386
29 3BY PRO LYS ARG ILE ALA 0.424242 0.859375
30 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.423077 0.797101
31 ARG PRO PRO GLY PHE THR PRO PHE ARG 0.423077 0.963636
32 GLY HIS ARG PRO NH2 0.421488 0.866667
33 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.417808 0.771429
34 5JP PRO LYS ARG ILE ALA 0.416667 0.776119
35 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.412162 0.80597
36 DPN PRO DAR ILE NH2 0.41129 0.836066
37 TYR PRO LYS ARG ILE ALA 0.410072 0.791045
38 DPN PRO ARG 0.408696 0.847458
39 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.407407 0.84127
40 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.407143 0.84375
41 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.405594 0.80597
42 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.402985 0.779661
43 VAL LYS PRO GLY 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
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