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(N...
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 263 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 196 families.
1 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG 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: ARG PRO PRO LYS PRO ARG PRO ARG; Similar ligands found: 52
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 0.663551 0.913793
3 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.642202 0.963636
4 ARG PRO LYS PRO LEU VAL ASP PRO 0.621622 0.913793
5 THR LYS PRO ARG 0.59 0.927273
6 ARG PRO PRO GLY PHE THR PRO PHE ARG 0.540816 1
7 LEU ASP PRO ARG 0.535714 0.819672
8 PHE PRO ARG 0.527778 0.909091
9 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.526316 0.815385
10 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.520325 0.913793
11 ARG PRO LYS ARG ILE ALA 0.504065 0.866667
12 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.496063 0.913793
13 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.492857 0.815385
14 LYS PRO LYS 0.49 0.763636
15 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.470588 0.84127
16 LYS ARG ARG ARG HIS PRO SER 0.469697 0.868852
17 GLY PRO ARG PRO 0.462963 0.981481
18 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.460432 0.815385
19 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.459259 0.898305
20 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.457143 0.80303
21 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.455224 0.898305
22 ARG ARG ARG GLU ARG SER PRO THR ARG 0.451128 0.8125
23 MET TRP ARG PRO TRP 0.45 0.787879
24 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.448 0.913793
25 DPN PRO ARG 0.447368 0.877193
26 DAR OIC PRO DAL 4PH NH2 0.444444 0.868852
27 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.444444 0.929825
28 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.438356 0.768116
29 MAA LYS PRO PHE 0.433333 0.741379
30 LYS PRO VAL LEU ARG THR ALA 0.432836 0.784615
31 PRO PRO LYS LYS LYS ARG LYS VAL 0.432 0.912281
32 SER PRO LYS ARG ILE ALA 0.430769 0.796875
33 HIS HIS ALA SER PRO ARG LYS 0.427586 0.8125
34 LYS ARG ARG ARG HIS PRO SER GLY 0.427536 0.828125
35 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.423077 0.686567
36 LYS THR PHE PRO PRO THR GLU PRO LYS 0.417808 0.681818
37 GLY THR LYS PRO PRO LEU GLU GLU LEU A2G 0.417808 0.621622
38 ALA PRO ASP THR ARG PRO ALA PRO 0.416667 0.815385
39 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.416667 0.757143
40 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.411348 0.784615
41 TYR PRO LYS ARG ILE ALA 0.411348 0.787879
42 DPN PRO DAR CYS NH2 0.41129 0.877193
43 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.404762 0.776119
44 SER PRO ARG LEU PRO LEU LEU GLU SER 0.40458 0.896552
45 GLU LYS PRO SER SER SER 0.403361 0.725806
46 VAL LYS PRO GLY 0.401786 0.745763
47 DPN PRO DAR ILE NH2 0.401575 0.833333
48 DPN PRO DAR DTH NH2 0.401575 0.806452
49 PHE ASN ARG PRO VAL 0.401515 0.769231
50 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.401361 0.828125
51 SIN ALA ALA PRO LYS 0.4 0.767857
52 PRO PRO LYS ARG ILE ALA 0.4 0.866667
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: 62
This union binding pocket(no: 1) in the query (biounit: 2ak5.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IHB TRS 0.001345 0.53739 None
2 3MAG 3MA 0.0005065 0.51097 None
3 3TKA CTN 0.004153 0.48786 None
4 4B16 NAG 0.001791 0.48206 None
5 1JGS SAL 0.003023 0.48044 None
6 4M5P MLA 0.002896 0.47104 None
7 2XI7 XI7 0.005372 0.46661 None
8 1H8P PC 0.004461 0.45237 None
9 4RJK PYR 0.01364 0.44414 None
10 1DL7 NCH 0.02334 0.43114 None
11 4F8L GAL 0.02338 0.43109 None
12 1TDF NAP 0.005572 0.42349 None
13 3R51 MMA 0.02182 0.41743 None
14 1UO5 PIH 0.04225 0.41666 None
15 1YFZ IMP 0.007665 0.41479 None
16 3IHB GLU 0.01413 0.41404 None
17 2NCD ADP 0.008938 0.41189 None
18 2ALG DAO 0.009446 0.41084 None
19 4JCA CIT 0.04248 0.40913 None
20 1UW1 ADP 0.0126 0.4054 None
21 1ZED PNP 0.02273 0.40435 None
22 4B9E FAH 0.02395 0.40328 None
23 2VQ5 LDP 0.04369 0.40198 None
24 1Y7P RIP 0.03634 0.40013 None
25 1ULE GLA GAL NAG 0.009735 0.42808 3.125
26 2BO4 FLC 0.02178 0.40522 3.125
27 2BZ1 TAU 0.001566 0.49624 4.6875
28 1JAC AMG 0.03106 0.41643 4.6875
29 4IXW IXW 0.008602 0.40275 6.25
30 1SS4 CIT 0.00004041 0.64524 7.8125
31 1SS4 GSH 0.008048 0.46134 7.8125
32 1O9U ADZ 0.01098 0.43258 7.8125
33 2XDQ MGX 0.02087 0.41842 7.8125
34 1RZM E4P 0.02807 0.40003 7.8125
35 2YD6 FLC 0.001009 0.51974 9.375
36 3HZL 6PC 0.01367 0.42775 9.375
37 3L6R MLI 0.01399 0.41424 9.375
38 3L24 GOA 0.006749 0.44328 10.9375
39 4W6Z ETF 0.02003 0.41932 10.9375
40 1XE7 GUN 0.0229 0.41636 10.9375
41 3QDW A2G 0.0198 0.41958 12.5
42 3QDT A2G GAL 0.03185 0.40295 12.5
43 4FGC PQ0 0.0001493 0.48891 14.0625
44 1QH9 LAC 0.002165 0.44506 14.0625
45 1KC7 PPR 0.009171 0.42282 14.0625
46 2ZWS PLM 0.04354 0.41592 14.0625
47 1RYD GLC 0.007812 0.42001 15.625
48 1PEA ACM 0.01925 0.41366 15.625
49 1I2B UPG 0.03256 0.41049 15.625
50 1I2B NAD 0.03256 0.41049 15.625
51 1I2B USQ 0.03256 0.41049 15.625
52 1WTC ACP 0.003617 0.44168 17.1875
53 1HSJ GLC 0.01919 0.43589 17.1875
54 4WBD CIT 0.009627 0.42832 18.75
55 3MD0 GDP 0.005524 0.41057 18.75
56 2OWZ CIT 0.01367 0.40905 18.75
57 1RYI GOA 0.009215 0.45235 21.875
58 3SQG COM 0.001202 0.49118 25
59 9LDT OXM 0.03955 0.4108 25
60 1P9B HDA 0.009549 0.41064 25
61 3I0O SMI 0.002574 0.43536 29.6875
62 1JN2 SFP 0.03488 0.44479 35.9375
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