Receptor
PDB id Resolution Class Description Source Keywords
3DVP 2.5 Å NON-ENZYME: OTHER PAK1 PEPTIDE BOUND LC8 DROSOPHILA MELANOGASTER PAK1 LC8 DLC1 PIN COMPLEX DYNEIN MICROTUBULE MOTOR PRSTRUCTURAL PROTEIN
Ref.: BIOCHEMICAL AND STRUCTURAL CHARACTERIZATION OF THE INTERACTION. J.BIOL.CHEM. V. 283 27314 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THR PRO THR ARG ASP VAL ALA THR SER PRO C:213;
D:213;
Valid;
Valid;
none;
none;
submit data
916.988 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XQQ 1.31 Å NON-ENZYME: OTHER HUMAN DYNEIN LIGHT CHAIN (DYNLL2) IN COMPLEX WITH AN IN VITRO EVOLVED PEPTIDE (AC-SRGTQTE). HOMO SAPIENS PROTEIN TRANSPORT DIMER INTERFACE
Ref.: DIRECTED EVOLUTION REVEALS THE BINDING MOTIF PREFER THE LC8/DYNLL HUB PROTEIN AND PREDICTS LARGE NUMBER NOVEL BINDERS IN THE HUMAN PROTEOME PLOS ONE V. 6 18818 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2XQQ Kd = 15.2 uM SAC ARG GLY THR GLN THR GLU n/a n/a
2 3DVP - THR PRO THR ARG ASP VAL ALA THR SER PRO 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 1068 families.
1 2XQQ Kd = 15.2 uM SAC ARG GLY THR GLN THR GLU n/a n/a
2 3DVP - THR PRO THR ARG ASP VAL ALA THR SER PRO n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2XQQ Kd = 15.2 uM SAC ARG GLY THR GLN THR GLU n/a n/a
2 3DVP - THR PRO THR ARG ASP VAL ALA THR SER PRO n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR PRO THR ARG ASP VAL ALA THR SER PRO; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 THR PRO THR ARG ASP VAL ALA THR SER PRO 1 1
2 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.543478 0.969231
3 PRO SER ILE ASP ARG SER THR LYS PRO 0.531915 0.926471
4 ARG VAL ALA SER PRO THR SER GLY VAL 0.518797 1
5 ALA PRO ASP THR ARG PRO 0.515873 0.925373
6 SER ALA PRO ASP THR ARG PRO ALA 0.515152 0.940298
7 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.496815 0.887324
8 PHE PRO THR LYS ASP VAL ALA LEU 0.489362 0.808824
9 GLU ARG THR ILE PRO ILE THR ARG GLU 0.485075 0.925373
10 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.482269 0.926471
11 LYS PRO VAL LEU ARG THR ALA 0.474074 0.924242
12 ARG ARG ARG GLU ARG SER PRO THR ARG 0.470588 0.953846
13 ILE SER PRO ARG THR LEU ASP ALA TRP 0.46988 0.876712
14 ARG VAL ALA SEP PRO THR SER GLY VAL 0.468966 0.914286
15 ARG GLU ARG SER PRO THR ARG 0.466667 0.907692
16 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.460526 0.913043
17 ALA ARG MLZ SER ALA PRO ALA THR 0.459259 0.857143
18 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.456522 0.954545
19 LEU PRO PHE GLU ARG ALA THR VAL MET 0.45283 0.861111
20 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.450704 0.867647
21 ALA MET ALA PRO ARG THR LEU LEU LEU 0.45 0.859155
22 ALA PRO ASP THR ARG PRO ALA PRO 0.447761 0.925373
23 ALA ALA ARG KCR SER ALA PRO ALA 0.447552 0.895522
24 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.447368 0.9
25 CYS THR PRO SER ARG 0.445312 0.938462
26 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.441558 0.940298
27 ASN LEU VAL PRO SER VAL ALA THR VAL 0.441176 0.878788
28 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.440789 0.940298
29 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.44 0.911765
30 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.439716 0.925373
31 SER ARG ASP HIS SER ARG THR PRO MET 0.43949 0.851351
32 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.435714 0.938462
33 ALA ALA LEU THR ARG ALA 0.429752 0.723077
34 SER PRO LYS ARG ILE ALA 0.42963 0.880597
35 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.425806 0.875
36 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.425532 0.848485
37 ASP LEU THR ARG PRO 0.423077 0.969231
38 ALA ARG THR M3L GLN THR ALA ARG 0.423077 0.75
39 ASN LEU VAL PRO THR VAL ALA THR VAL 0.422222 0.848485
40 ALA THR ARG ASN PHE SER GLY 0.422222 0.761194
41 ALA THR VAL ARG THR TYR SER CYS 0.422222 0.728571
42 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.421875 0.753846
43 LEU PRO PHE ASP ARG THR THR ILE MET 0.421384 0.863014
44 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.419118 0.848485
45 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.418919 0.861111
46 ALA ARG THR LYS GLN THR ALA ARG 0.418605 0.753846
47 ALA ARG THR LYS GLN THR ALA ARG LYS 0.418605 0.753846
48 5JP PRO LYS ARG ILE ALA 0.417266 0.855072
49 ASN LEU VAL PRO MET VAL ALA THR VAL 0.416667 0.8
50 ACE TRP ARG VAL PRO 0.414286 0.777778
51 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.412214 0.769231
52 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.410596 0.887324
53 LEU PRO PHE GLU ARG ALA THR ILE MET 0.409639 0.849315
54 ALA ARG THR MLY GLN THR ALA ARG TYR 0.408451 0.733333
55 ACE GLU VAL ASN PRO 0.408333 0.787879
56 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.407407 0.714286
57 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.407186 0.863014
58 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.406452 0.788732
59 ARG ARG ALA THR LYS MET NH2 0.40625 0.685714
60 VAL ALA ARG SER 0.405405 0.71875
61 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.404908 0.913043
62 SER PRO HIS ASN PRO ILE SER ASP VAL ASP 0.40458 0.838235
63 ALA ARG THR MLY GLN THR ALA ARG LYS 0.402985 0.757143
64 DPN PRO DAR DTH NH2 0.401515 0.863636
65 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.40146 0.75
66 MET ABA LEU ARG MET THR ALA VAL MET 0.40146 0.676056
67 ARG PRO LYS ARG ILE ALA 0.40146 0.835821
68 SER HIS PRO ARG PRO ILE ARG VAL 0.401316 0.873239
69 ACE ALA ARG THR GLU VAL TYR NH2 0.4 0.724638
70 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.4 0.807692
71 GLU ALA GLN THR ARG LEU 0.4 0.753846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XQQ; Ligand: SAC ARG GLY THR GLN THR GLU; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 2xqq.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KRR DQX 0.01235 0.42641 6.74157
2 5BVE 4VG 0.03845 0.40124 8.98876
Pocket No.: 2; Query (leader) PDB : 2XQQ; Ligand: SAC ARG GLY THR GLN THR GLU; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 2xqq.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SHR CMP 0.01727 0.40212 7.86517
2 4JBI NDP 0.009087 0.402 15.7303
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