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
943.026 n/a O=C(N...
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 VITR 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 1610 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 1331 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 1144 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 (2D)
Ligand no: 1; Ligand: THR PRO THR ARG ASP VAL ALA THR SER PRO; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 THR PRO THR ARG ASP VAL ALA THR SER PRO 1 1
2 PRO SER ILE ASP ARG SER THR LYS PRO 0.621429 0.955882
3 ARG VAL ALA SER PRO THR SER GLY VAL 0.507143 0.969697
4 PRO SER ARG VAL 0.487395 0.833333
5 SER ALA PRO ASP THR ARG PRO ALA 0.485915 0.970149
6 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.482517 0.80597
7 MET CYS PRO ARG MET THR ALA VAL MET 0.473684 0.887324
8 ARG VAL ALA SEP PRO THR SER GLY VAL 0.460526 0.888889
9 ALA ARG MLZ SER ALA PRO ALA THR 0.458904 0.887324
10 ARG ARG ARG GLU ARG SER PRO THR ARG 0.452055 0.954545
11 PRO THR VAL GLU GLU VAL ASP 0.448 0.772727
12 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.447368 0.9
13 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.446667 0.791667
14 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.446429 0.914286
15 ILE SER PRO ARG THR LEU ASP ALA TRP 0.445714 0.90411
16 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.445205 0.926471
17 PHE PRO THR LYS ASP VAL ALA LEU 0.445161 0.84058
18 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.442529 0.915493
19 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.440559 0.84058
20 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.440559 0.865672
21 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.435583 0.941176
22 LEU PRO PHE GLU ARG ALA THR VAL MET 0.434524 0.863014
23 ASN LEU VAL PRO SER VAL ALA THR VAL 0.433566 0.852941
24 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.433333 0.926471
25 LYS PRO VAL LEU ARG THR ALA 0.432432 0.925373
26 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.432432 0.910448
27 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.432258 0.888889
28 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.43125 0.970149
29 ALA PRO ASP THR ARG PRO ALA PRO NGA 0.430233 0.878378
30 ALA PRO ASP THR ARG PRO ALA PRO 0.429577 0.955224
31 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.429448 0.887324
32 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.425 0.913043
33 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.425 0.876712
34 ALA ALA ARG KCR SER ALA PRO ALA 0.424837 0.897059
35 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.42446 0.850746
36 PRO THR GLU PUK ARG GLU 0.423077 0.785714
37 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.417178 0.901408
38 SER ARG ASP HIS SER ARG THR PRO MET 0.416667 0.878378
39 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.416107 0.911765
40 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.415663 0.90411
41 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.412162 0.84058
42 PRO THR PRO SER ALA PRO VAL PRO LEU 0.411765 0.867647
43 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.410959 0.835821
44 PRO PRO LYS ARG ILE ALA 0.409396 0.838235
45 ARG GLU ARG SER PRO THR ARG 0.406015 0.909091
46 ASN LEU VAL PRO THR VAL ALA THR VAL 0.405594 0.823529
47 LEU PRO PHE ASP ARG THR THR ILE MET 0.404762 0.864865
48 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.402878 0.746269
49 LEU PRO PRO GLU GLU ARG LEU ILE 0.402685 0.867647
50 GLY THR SER SER PRO SER ALA ASP 0.40146 0.848485
51 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.401408 0.863636
52 SER PRO LYS ARG ILE ALA 0.401408 0.895522
53 ALA MET ALA PRO ARG THR LEU LEU LEU 0.401316 0.861111
54 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.4 0.823529
55 ACE PRO GLN GLN ALA THR ASP ASP 0.4 0.823529
56 5JP PRO LYS ARG ILE ALA 0.4 0.869565
57 PRO THR SER SER GLU GLN ILE 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: THR PRO THR ARG ASP VAL ALA THR SER PRO; 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 : 2XQQ; Ligand: SAC ARG GLY THR GLN THR GLU; 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: 2xqq.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XQQ; Ligand: SAC ARG GLY THR GLN THR GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xqq.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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