Receptor
PDB id Resolution Class Description Source Keywords
2AK5 1.85 Å NON-ENZYME: SIGNAL_HORMONE BETA PIX-SH3 COMPLEXED WITH A CBL-B PEPTIDE RATTUS NORVEGICUS ADAPTOR PROTEINS CIN85 PIX/COOL CBL PROTEIN-PROTEIN INTERACTION X-RAY ENDOCYTOSIS ENDOCYTOSIS/EXOCYTOSIS COMPLEX
Ref.: CBL PROMOTES CLUSTERING OF ENDOCYTIC ADAPTOR PROTEINS. NAT.STRUCT.MOL.BIOL. V. 12 972 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG PRO PRO LYS PRO ARG PRO ARG D:904;
 Valid;
 none;
 Kd = 14 uM
992.266 n/a O=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AK5 1.85 Å NON-ENZYME: SIGNAL_HORMONE BETA PIX-SH3 COMPLEXED WITH A CBL-B PEPTIDE RATTUS NORVEGICUS ADAPTOR PROTEINS CIN85 PIX/COOL CBL PROTEIN-PROTEIN INTERACTION X-RAY ENDOCYTOSIS ENDOCYTOSIS/EXOCYTOSIS COMPLEX
Ref.: CBL PROMOTES CLUSTERING OF ENDOCYTIC ADAPTOR PROTEINS. NAT.STRUCT.MOL.BIOL. V. 12 972 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG 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 214 families.
1 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO 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: ARG PRO PRO LYS PRO ARG PRO ARG; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG PRO PRO LYS PRO ARG PRO ARG 1 1
2 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.66055 0.913793
3 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.654545 0.963636
4 ARG PRO LYS PRO LEU VAL ASP PRO 0.619469 0.913793
5 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.567568 0.913793
6 LEU ASP PRO ARG 0.530435 0.806452
7 PHE PRO ARG 0.522523 0.909091
8 ARG PRO LYS ARG ILE ALA 0.52 0.866667
9 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.516393 0.929825
10 ARG PRO PRO GLY PHE 0.516393 0.929825
11 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.5 0.815385
12 THR LYS PRO ARG 0.495413 0.927273
13 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.491803 0.898305
14 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.483221 0.84127
15 LYS PRO LYS 0.480392 0.818182
16 LYS ARG ARG ARG HIS PRO SER 0.477612 0.868852
17 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.472222 0.815385
18 GLY PRO ARG PRO 0.463636 0.981481
19 SER PRO LYS ARG ILE ALA 0.460317 0.809524
20 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.456522 0.84127
21 ACE SER LEU ARG PRO ALA PRO LPD 0.450382 0.815385
22 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.443662 0.815385
23 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.441379 0.84127
24 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.439716 0.854839
25 HIS HIS ALA SER PRO ARG LYS 0.438356 0.8125
26 LYS PRO VAL LEU ARG THR ALA 0.437956 0.784615
27 PRO PRO LYS LYS LYS ARG LYS VAL 0.4375 0.912281
28 5JP PRO LYS ARG ILE ALA 0.435115 0.784615
29 LYS ARG ARG ARG HIS PRO SER GLY 0.432624 0.828125
30 DPN PRO ARG 0.432203 0.877193
31 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.429688 0.913793
32 GLU ARG THR ILE PRO ILE THR ARG GLU 0.428571 0.8125
33 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.426357 0.929825
34 GLY MET PRO ARG GLY ALA 0.426357 0.809524
35 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.42446 0.868852
36 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.422819 0.768116
37 MAA LYS PRO PHE 0.419355 0.762712
38 SIN ALA ALA PRO LYS 0.415929 0.789474
39 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.415205 0.706667
40 MET TRP ARG PRO TRP 0.414966 0.787879
41 GLY THR LYS PRO PRO LEU GLU GLU LEU A2G 0.413333 0.635135
42 PRO PRO LYS ARG ILE ALA 0.413043 0.866667
43 3BY PRO LYS ARG ILE ALA 0.413043 0.828125
44 TYR PRO LYS ARG ILE ALA 0.412587 0.787879
45 DAR OIC PRO DAL 4PH NH2 0.410072 0.868852
46 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.409836 0.707692
47 GLU LYS PRO SER SER SER 0.401639 0.741935
48 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.401575 0.776119
49 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.401408 0.784615
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG PRO PRO LYS PRO ARG PRO ARG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AK5; Ligand: ARG PRO PRO LYS PRO ARG PRO ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2ak5.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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