Receptor
PDB id Resolution Class Description Source Keywords
3IVV 1.25 Å NON-ENZYME: OTHER STRUCTURES OF SPOP-SUBSTRATE COMPLEXES: INSIGHTS INTO MOLECULAR ARCHITECTURES OF BTB-CUL3 UBIQUITIN LIGASES: S POPMATH-PUCSBC1_PEP1 HOMO SAPIENS PROTEIN BINDING NUCLEUS UBL CONJUGATION PATHWAY LIGASE
Ref.: STRUCTURES OF SPOP-SUBSTRATE COMPLEXES: INSIGHTS INTO MOLECULAR ARCHITECTURES OF BTB-CUL3 UBIQUITIN LIGASES. MOL.CELL V. 36 39 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP GLU VAL THR SER THR THR SER SER SER D:96;
Valid;
none;
Kd ~ 4 uM
894.934 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IVV 1.25 Å NON-ENZYME: OTHER STRUCTURES OF SPOP-SUBSTRATE COMPLEXES: INSIGHTS INTO MOLECULAR ARCHITECTURES OF BTB-CUL3 UBIQUITIN LIGASES: S POPMATH-PUCSBC1_PEP1 HOMO SAPIENS PROTEIN BINDING NUCLEUS UBL CONJUGATION PATHWAY LIGASE
Ref.: STRUCTURES OF SPOP-SUBSTRATE COMPLEXES: INSIGHTS INTO MOLECULAR ARCHITECTURES OF BTB-CUL3 UBIQUITIN LIGASES. MOL.CELL V. 36 39 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3IVV Kd ~ 4 uM ASP GLU VAL THR SER THR THR SER SER SER 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 1068 families.
1 3IVV Kd ~ 4 uM ASP GLU VAL THR SER THR THR SER SER SER n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3IVV Kd ~ 4 uM ASP GLU VAL THR SER THR THR SER SER SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP GLU VAL THR SER THR THR SER SER SER; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP GLU VAL THR SER THR THR SER SER SER 1 1
2 VAL THR SER VAL VAL 0.661538 0.948718
3 ALA ALA ALA ALA SER ALA ALA 0.552239 0.923077
4 LYS GLN THR SER VAL 0.532468 0.906977
5 SER LEU ALA ASN THR VAL ALA THR LEU 0.494505 0.906977
6 ALA ALA SER ALA SER ALA 0.478873 0.923077
7 ALA THR ALA ALA 0.470588 0.769231
8 ALA SER ASN GLU ASN ALA GLU THR MET 0.459184 0.745098
9 THR SER THR THR SER VAL ALA SER SER TRP 0.451923 0.764706
10 LYS SER ALA TPO THR THR VAL MET ASN PRO 0.446809 0.730769
11 THR LYS THR ALA THR ILE ASN ALA SER 0.44 0.77551
12 ALA THR ALA ALA ALA THR GLU ALA TYR 0.4375 0.729167
13 ALA SER VAL SER ALA 0.432432 0.948718
14 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.428571 0.822222
15 THR ILE THR SER 0.428571 0.904762
16 ILE ILE SER ALA VAL VAL GLY ILE LEU 0.428571 0.840909
17 SER LEU TYR LEU THR VAL ALA THR LEU 0.421569 0.847826
18 SER PRO SER ILE 0.416667 0.878049
19 ACE THR VAL ALA SER SER NH2 0.414634 0.974359
20 ASN SER THR LEU GLN 0.411111 0.886364
21 GLY ALA THR VAL 0.410959 0.833333
22 THR THR THR THR THR THR THR 0.409091 0.794872
23 LYS ALA SER VAL GLY 0.402299 0.822222
24 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.4 0.698113
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IVV; Ligand: ASP GLU VAL THR SER THR THR SER SER SER; Similar sites found: 30
This union binding pocket(no: 1) in the query (biounit: 3ivv.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I0D MUT 0.0425 0.42654 None
2 5WXH ALA ARG THR M3L GLN THR ALA 0.007935 0.42408 None
3 2P3C 3TL 0.0291 0.41879 None
4 4AUT FAD 0.02816 0.42053 1.37931
5 4SGA ACE PRO ALA PRO PHE 0.01443 0.40687 1.37931
6 1IAU ACE ILE GLU PRO ASJ 0.003809 0.43808 2.06897
7 1J17 ZEN 0.009783 0.41746 2.06897
8 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 0.03072 0.4089 2.06897
9 3I7V B4P 0.02527 0.42508 3.73134
10 3L8W XAN 0.004819 0.44885 4.05405
11 3IES M24 0.02092 0.42358 4.82759
12 5X8G S0N 0.04409 0.41785 4.82759
13 4YC0 5OF 0.009144 0.42815 5.51724
14 1BAI 0Q4 0.04 0.40153 5.64516
15 3QFS NAP 0.02125 0.42725 6.2069
16 3QFS FAD 0.02125 0.42725 6.2069
17 3FJO FAD 0.01225 0.41451 6.2069
18 2B6N ALA PRO THR 0.003407 0.43993 6.89655
19 2D1S SLU 0.006778 0.44516 7.58621
20 1F20 FAD 0.01021 0.42226 7.58621
21 1ZK4 NAP 0.03714 0.412 8.27586
22 1L6O SER LEU LYS LEU MET THR THR VAL 0.02699 0.40667 8.42105
23 5MSD BEZ 0.02618 0.40122 9.65517
24 5K8V 6RE 0.03935 0.42413 13.1034
25 4EZW ASN ARG LEU LEU LEU THR GLY 0.01716 0.40513 15.8621
26 5GXU FAD 0.01577 0.42308 19.3103
27 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 0.00006525 0.53434 20
28 2FOJ GLY ALA ARG ALA HIS SER SER 0.00002244 0.53338 20
29 1QSC ACE TYR PRO ILE GLN GLU THR 0.000378 0.48847 20
30 5MST FUM 0.02843 0.40548 22.7586
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