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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 1443 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 1205 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 1039 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: 26
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 0.671875 0.95
3 ALA ALA ALA ALA SER ALA ALA 0.560606 0.925
4 LYS GLN THR SER VAL 0.519481 0.930233
5 SER LEU ALA ASN THR VAL ALA THR LEU 0.48913 0.930233
6 ACE THR VAL ALA SER SER NH2 0.486842 0.975
7 ALA ALA SER ALA SER ALA 0.485714 0.925
8 ALA THR ALA ALA 0.462687 0.775
9 LYS SER ALA TPO THR THR VAL MET ASN PRO 0.457447 0.735849
10 THR SER THR THR SER VAL ALA SER SER TRP 0.456311 0.769231
11 ALA SER ASN GLU ASN ALA GLU THR MET 0.44898 0.764706
12 THR ILE THR SER 0.445946 0.906977
13 THR LYS THR ALA THR ILE ASN ALA SER 0.44 0.795918
14 ALA SER VAL SER ALA 0.438356 0.95
15 ILE ILE SER ALA VAL VAL GLY ILE LEU 0.4375 0.844444
16 ALA THR ALA ALA ALA THR GLU ALA TYR 0.431579 0.734694
17 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.423529 0.822222
18 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.423529 0.826087
19 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.42268 0.696429
20 SER PRO SER ILE 0.422535 0.880952
21 SER LEU TYR LEU THR VAL ALA THR LEU 0.417476 0.851064
22 ASN SER THR LEU GLN 0.41573 0.909091
23 LYS ALA SER VAL GLY 0.406977 0.826087
24 ACE GLN LEU VAL THR SER LEU 0.406593 0.888889
25 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.4 0.756098
26 THR THR THR THR THR THR THR 0.4 0.8
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 with APoc: 44
This union binding pocket(no: 1) in the query (biounit: 3ivv.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5WXH ALA ARG THR M3L GLN THR ALA None
2 2P3C 3TL None
3 4L80 1VU None
4 5N81 8Q2 1.37931
5 4AUT FAD 1.37931
6 4SGA ACE PRO ALA PRO PHE 1.37931
7 1IAU ACE ILE GLU PRO ASJ 2.06897
8 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 2.06897
9 2D3Y DU 2.75862
10 5FPE 3TR 2.75862
11 3I7V B4P 3.73134
12 3L8W XAN 4.05405
13 5VKM GAL SIA 4.13793
14 3IES M24 4.82759
15 5X8G S0N 4.82759
16 4AFH L0B 4.82759
17 4YC0 5OF 5.51724
18 6DEF GCP 5.51724
19 3QPB URA 5.51724
20 1BAI 0Q4 5.64516
21 3QFS FAD 6.2069
22 5FA6 NAP 6.2069
23 5FA6 FMN 6.2069
24 5FA6 FAD 6.2069
25 5OJI ISN 6.2069
26 3FJO FAD 6.2069
27 5OJI NAP 6.2069
28 2B6N ALA PRO THR 6.89655
29 1KQR MNA 6.89655
30 5GWT SIN 6.89655
31 1R1Q ACE ARG GLU PTR VAL ASN VAL 7
32 2D1S SLU 7.58621
33 1F20 FAD 7.58621
34 1ZK4 NAP 8.27586
35 1L6O SER LEU LYS LEU MET THR THR VAL 8.42105
36 1XOC VAL ASP SER LYS ASN THR SER SER TRP 8.96552
37 2J5B TYE 8.96552
38 5MSD BEZ 9.65517
39 4EZW ASN ARG LEU LEU LEU THR GLY 15.8621
40 5GXU FAD 19.3103
41 2FOJ GLY ALA ARG ALA HIS SER SER 20
42 1QSC ACE TYR PRO ILE GLN GLU THR 20
43 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 20
44 5MST FUM 22.7586
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