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
763.807 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: SAC ARG GLY THR GLN THR GLU; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 SAC ARG GLY THR GLN THR GLU 1 1
2 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.487805 0.78125
3 THR ARG ARG GLU THR GLN LEU 0.486726 0.890909
4 ALA ARG THR MLY GLN 0.486486 0.790323
5 ALA ARG THR MLY GLN THR ALA ARG LYS 0.479339 0.790323
6 GLU ALA GLN THR ARG LEU 0.478632 0.888889
7 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.478632 0.888889
8 ALA ARG THR MLY GLN THR ALA 0.474138 0.790323
9 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.474138 0.790323
10 ARG ARG ARG GLU THR GLN VAL 0.46789 0.90566
11 ALA ARG THR M3L GLN THR ALA ARG 0.466667 0.78125
12 ALA ARG THR ALY GLN THR ALA 0.465517 0.890909
13 ALA ARG THR LYS GLN THR ALA ARG 0.462185 0.888889
14 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.462185 0.890909
15 ALA ARG THR LYS GLN THR ALA ARG LYS 0.462185 0.888889
16 ALA GLN THR ALA ARG ALY SER THR 0.456 0.909091
17 ALA 2MR THR MLY GLN THR ALA ALA 0.452381 0.806452
18 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.448 0.862069
19 ALA ARG THR MLY GLN THR ALA ARG TYR 0.44697 0.735294
20 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.442623 0.907407
21 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.439655 0.774194
22 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.437086 0.772727
23 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.436975 0.765625
24 ALA ARG THR M3L GLN THR ALA 0.436975 0.765625
25 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.436975 0.765625
26 ALA ARG THR M3L GLN THR ALA ARG LYS 0.433333 0.765625
27 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.433333 0.827586
28 ACE GLN THR ALA ARG KCR SER THR 0.431818 0.909091
29 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.428571 0.886792
30 ASN ARG LEU LEU LEU THR GLY 0.418182 0.907407
31 THR ILE MET MET GLN ARG GLY 0.414634 0.830508
32 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.409836 0.818182
33 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.408163 0.735294
34 GLN ARG SER THR SEP THR 0.406504 0.847458
35 ARG GLY THR 0.405941 0.884615
36 ILE GLN GLN SER ILE GLU ARG ILE 0.403226 0.872727
37 ALA ARG MLY SER THR GLY GLY ALY 0.402985 0.83871
38 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.40146 0.765625
39 LYS GLN THR SER VAL 0.4 0.792453
40 GLU ARG GLY MET THR 0.4 0.824561
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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