-->
Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:1090;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
SAC ARG GLY THR GLN THR GLU E:1;
F:1;
G:1;
H:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 15.2 uM
818.819 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 1443 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 1205 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 1039 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: SAC ARG GLY THR GLN THR GLU; Similar ligands found: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 SAC ARG GLY THR GLN THR GLU 1 1
2 ARG ARG ARG GLU THR GLN VAL 0.582524 0.907407
3 ACE GLU ALA GLN THR ARG LEU 0.581818 0.907407
4 THR ARG ARG GLU THR GLN LEU 0.570093 0.890909
5 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.535088 0.890909
6 ALA ARG THR MLY GLN 0.522936 0.790323
7 GLU ALA GLN THR ARG LEU 0.521739 0.888889
8 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.495798 0.907407
9 ALA ARG THR M3L GLN THR ALA ARG 0.495726 0.78125
10 ILE GLN GLN SER ILE GLU ARG ILE 0.491379 0.872727
11 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.486301 0.772727
12 ALA ARG THR ALY GLN THR ALA 0.482456 0.890909
13 GLU ARG GLY MET THR 0.477876 0.824561
14 ALA ARG THR GLU LEU TYR ARG SER LEU 0.476923 0.819672
15 ALA GLN THR ALA ARG ALY SER THR 0.471545 0.909091
16 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.470588 0.818182
17 LEU GLU LYS ALA ARG GLY SER THR TYR 0.468531 0.822581
18 ACE ALA ARG THR GLU VAL TYR NH2 0.467742 0.813559
19 THR ILE MET MET GLN ARG GLY 0.466102 0.830508
20 ACE GLN THR ALA ARG PRK SER THR 0.463415 0.909091
21 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.461538 0.790323
22 ALA ARG THR MLY GLN THR ALA 0.461538 0.790323
23 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.457627 0.827586
24 ALA ARG THR MLY GLN THR ALA ARG LYS 0.457627 0.774194
25 ALA ARG M3L SER THR GLY GLY ALY 0.457364 0.8125
26 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.456897 0.765625
27 ALA ARG THR M3L GLN THR ALA 0.456897 0.765625
28 ALA ARG MLZ SER THR GLY GLY ALY 0.453846 0.896552
29 ALA ARG MLY SER THR GLY GLY ALY 0.453846 0.83871
30 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.452991 0.765625
31 ALA ARG THR M3L GLN THR ALA ARG LYS 0.452991 0.765625
32 GLU THR VAL ARG PHE GLN SER ASP 0.447761 0.875
33 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.4375 0.78125
34 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.4375 0.859649
35 ACE GLN THR ALA ARG KCR SER THR 0.4375 0.890909
36 ALA ARG THR MLY GLN THR ALA ARG TYR 0.43609 0.735294
37 ACE GLN THR ALA ARG BTK SER THR 0.435484 0.875
38 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.431818 0.822581
39 ALA ARG THR LYS GLN THR ALA ARG LYS 0.430894 0.888889
40 ALA THR VAL ARG THR TYR SER CYS 0.429688 0.816667
41 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.428571 0.886792
42 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.428571 0.844828
43 ACE ILE GLU SER THR GLU ILE 0.425926 0.777778
44 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.424837 0.704225
45 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.423841 0.761194
46 ACE GLN GLU ARG GLU VAL PRO CYS 0.423077 0.671642
47 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.422819 0.746269
48 ACE ASP LEU GLN THR SER ILE 0.422414 0.781818
49 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.419118 0.842105
50 LYS GLN THR SER VAL 0.417476 0.792453
51 GLU ARG GLY SER GLY ARG 0.417391 0.90566
52 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.416667 0.784615
53 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.415254 0.774194
54 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.414634 0.813559
55 ACE GLN LEU VAL THR SER LEU 0.414414 0.796296
56 ALA ARG THR LYS GLN THR ALA ARG 0.413793 0.87037
57 ALA SER ASN GLU ASN MET GLU THR MET 0.413793 0.728814
58 ACE GLY VAL NLE ARG ILE NH2 0.412281 0.732143
59 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.410596 0.746269
60 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.410072 0.746269
61 ALA ARG 9AT 0.408163 0.884615
62 ALA GLN PHE SER ALA SER ALA SER ARG 0.408 0.890909
63 2NC 0.404762 0.842105
64 ARG GLY TYR VAL TYR GLN GLY LEU 0.404412 0.741935
65 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.403974 0.757576
66 ALA SER ASN GLU ASP MET GLU THR MET 0.4 0.728814
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: 23
This union binding pocket(no: 1) in the query (biounit: 2xqq.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z9I GLY ALA THR VAL None
2 5WHT SIA GAL GLC None
3 5WHT SIA GAL None
4 1L5Y BEF None
5 1QHO MAL 2.24719
6 1ICV NIO 3.37079
7 1B4P GPS 5.61798
8 3BMN AX3 6.74157
9 3JQF AX2 6.74157
10 1JPA ANP 6.74157
11 3SHR CMP 7.86517
12 3GCM 5GP 7.86517
13 5XIO ANP 7.86517
14 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 8.98876
15 3HRD NIO 11.236
16 4GN8 ASO 11.236
17 3UG4 AHR 12.3596
18 2CXG GLC GLC 12.3596
19 3HAV ATP 12.3596
20 4R78 AMP 12.3596
21 4CCW VKC 17.9775
22 1PVC ILE SER GLU VAL 21.3483
23 1DZT TPE 24.7191
Pocket No.: 2; Query (leader) PDB : 2XQQ; Ligand: SAC ARG GLY THR GLN THR GLU; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 2xqq.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5WHT SIA None
2 2GZ3 NAP None
3 5C8W PCG None
4 4OKE AMP None
5 3KH5 ADP 3.37079
6 5TH5 MET 4.49438
7 4XPQ FUL 4.49438
8 4JLS 3ZE 6.74157
9 4FFG 0U8 6.74157
10 3OF1 CMP 6.74157
11 5L2R MLA 7.86517
12 5JAX 6J7 7.86517
13 1WLJ U5P 16.8539
APoc FAQ
Feedback