Receptor
PDB id Resolution Class Description Source Keywords
2J6O 2.23 Å NON-ENZYME: OTHER ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 D CMS:CD2 HETEROTRIMER HOMO SAPIENS PHOSPHORYLATION ADAPTOR PROTEIN EGFR DOWNREGULATION CMS DOMAIN SH3-BINDING COILED COIL SH3 DOMAIN RECOGNITION SPROTEIN PROTEIN BINDING
Ref.: ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMI DOMAIN. J.BIOL.CHEM. V. 281 38845 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL C:327;
Valid;
none;
Kd ~ 100 uM
821.062 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J6O 2.23 Å NON-ENZYME: OTHER ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 D CMS:CD2 HETEROTRIMER HOMO SAPIENS PHOSPHORYLATION ADAPTOR PROTEIN EGFR DOWNREGULATION CMS DOMAIN SH3-BINDING COILED COIL SH3 DOMAIN RECOGNITION SPROTEIN PROTEIN BINDING
Ref.: ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMI DOMAIN. J.BIOL.CHEM. V. 281 38845 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 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 1205 families.
1 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL n/a n/a
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 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 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
4 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
5 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
6 4LNP Kd = 214 uM VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU n/a n/a
7 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
8 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
9 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
10 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
11 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
12 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
13 4HXJ Kd = 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 1 1
2 SER PRO ARG LEU PRO LEU LEU GLU SER 0.688073 0.982759
3 ARG PRO LYS PRO LEU VAL ASP PRO 0.596491 1
4 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.546154 0.920635
5 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.512397 0.982759
6 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.493421 0.852941
7 GLY MET PRO ARG GLY ALA 0.491935 0.833333
8 GLY PRO ARG PRO 0.46789 0.898305
9 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.465278 0.814286
10 5JP PRO LYS ARG ILE ALA 0.462185 0.818182
11 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.451852 0.846154
12 LEU PRO PRO GLU GLU ARG LEU ILE 0.451128 0.919355
13 PRO SER ARG VAL 0.45045 0.738462
14 THR PRO ARG ARG SER MLZ SER ALA 0.448819 0.811594
15 LEU ASP PRO ARG 0.446281 0.887097
16 ARG THR PRO SEP LEU PRO THR 0.444444 0.828571
17 SER PRO LYS ARG ILE ALA 0.440945 0.830769
18 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.440298 0.888889
19 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.44 0.870968
20 PRO GLY PRO LEU PRO ALA 0.439655 0.852459
21 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.438849 0.920635
22 PRO PRO LYS ARG ILE ALA 0.437037 0.918033
23 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.437037 0.861538
24 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.43662 0.892308
25 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.436508 0.915254
26 ACE ARG THR PRO SEP LEU PRO THR PIP 0.435714 0.783784
27 ARG ARG ALA SEP ALA PRO LEU PRO 0.435714 0.84058
28 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.435115 0.918033
29 SER SER TYR ARG ARG PRO VAL GLY ILE 0.432432 0.816901
30 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.429577 0.892308
31 DPN PRO DAR ILE NH2 0.428571 0.885246
32 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.428571 0.920635
33 DPN PRO DAR DTH NH2 0.428571 0.787879
34 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.428571 0.888889
35 ALA PRO ASP THR ARG PRO 0.426357 0.835821
36 SER PRO SER PRO SER PRO SER PRO SER PRO 0.425926 0.761905
37 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.425 0.876923
38 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.42446 0.850746
39 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.423611 0.8
40 ASN ARG PRO ILE LEU SER LEU 0.422222 0.823529
41 PHE ASN ARG PRO VAL 0.421053 0.818182
42 LYS PRO VAL LEU ARG THR ALA 0.42029 0.861538
43 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.42 0.878788
44 ALA PRO ASP THR ARG PRO ALA PRO NGA 0.419753 0.746667
45 SER HIS PRO ARG PRO ILE ARG VAL 0.417808 0.84058
46 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.417266 0.95082
47 PRO SER ILE ASP ARG SER THR LYS PRO 0.416107 0.838235
48 DPN PRO DAR CYS NH2 0.416 0.822581
49 ALA PRO ASP THR ARG PRO ALA PRO 0.413534 0.835821
50 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.411765 0.746269
51 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.410959 0.878788
52 VAL PRO LEU ARG PRO MET THR TYR 0.410596 0.794521
53 ARG PRO LYS ARG ILE ALA 0.410448 0.918033
54 PRO THR PRO SER ALA PRO VAL PRO LEU 0.408 0.776119
55 ALA MET ALA PRO ARG THR LEU LEU LEU 0.407143 0.8
56 ACE GLN GLU ARG GLU VAL PRO CYS 0.402985 0.873016
57 SER ALA PRO ASP THR ARG PRO ALA 0.402878 0.823529
58 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.401361 0.802817
59 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.4 0.838235
60 PRO PRO GLY PRO ARG GLY PRO PRO GLY 0.4 0.885246
61 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.4 0.822581
62 GLU ARG THR ILE PRO ILE THR ARG GLU 0.4 0.861538
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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