Receptor
PDB id Resolution Class Description Source Keywords
2AST 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SKP1-SKP2-CKS1 IN COMPLEX WITH A P27 PE HOMO SAPIENS SCF-SUBSTRATE COMPLEX LRR CELL CYCLE PROTEIN TURNOVER COMLIGASE-LIGASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS OF THE CKS1-DEPENDENT RECOGNITION P27(KIP1) BY THE SCF(SKP2) UBIQUITIN LIGASE. MOL.CELL V. 20 9 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA GLY SER VAL GLU GLN TPO PRO LYS LYS D:4181;
Valid;
none;
Kd = 7 uM
1123.15 n/a P(=O)...
BEN B:1002;
C:1001;
Invalid;
Invalid;
none;
none;
submit data
120.152 C7 H8 N2 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AST 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SKP1-SKP2-CKS1 IN COMPLEX WITH A P27 PE HOMO SAPIENS SCF-SUBSTRATE COMPLEX LRR CELL CYCLE PROTEIN TURNOVER COMLIGASE-LIGASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS OF THE CKS1-DEPENDENT RECOGNITION P27(KIP1) BY THE SCF(SKP2) UBIQUITIN LIGASE. MOL.CELL V. 20 9 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2AST Kd = 7 uM ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 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 2AST Kd = 7 uM ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 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 2AST Kd = 7 uM ALA GLY SER VAL GLU GLN TPO PRO LYS LYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA GLY SER VAL GLU GLN TPO PRO LYS LYS; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 1 1
2 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.525316 0.842857
3 SER SER GLY LYS VAL PRO LEU SER 0.524476 0.852941
4 ACE MET GLN SER TPO PRO LEU NH2 0.52381 0.902778
5 MET GLN SER TPO PRO LEU 0.52 0.888889
6 SER LEU ILE PRO TPO PRO ASP LYS 0.519481 0.942857
7 SER SER GLY LYS VAL PRO LEU 0.51773 0.838235
8 LEU PRO PHE GLU LYS SER THR VAL MET 0.493976 0.797297
9 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.482558 0.861111
10 PRO MET GLN SER TPO PRO LEU 0.481013 0.890411
11 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.462428 0.84
12 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.461538 0.746667
13 LYS PRO SEP GLN GLU LEU 0.461538 0.911765
14 GLU LEU PRO LEU VAL LYS ILE 0.460526 0.753623
15 GLN ALA SER TPO PRO ARG NIT 0.45614 0.771084
16 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.453988 0.90411
17 ACE GLN GLU ARG GLU VAL PRO CYS 0.447368 0.739726
18 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.446429 0.732394
19 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.445714 0.766234
20 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.445161 0.84058
21 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.444444 0.855263
22 ALA ASN GLY GLY ALA SER GLY GLN VAL LYS 0.440789 0.691176
23 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.436047 0.702703
24 GLU LYS PRO SER SER SER 0.432624 0.820895
25 ACE PRO VAL GLN GLU THR NH2 0.432624 0.823529
26 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.432432 0.833333
27 ILE THR ASP GLN VAL PRO PHE SER VAL 0.431953 0.816901
28 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.43038 0.811594
29 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.429379 0.746667
30 LEU LEU CYS SER TPO PRO ASN GLY LEU 0.427673 0.914286
31 SER PRO LYS ARG ILE ALA 0.423841 0.753425
32 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.423313 0.757143
33 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.416667 0.701299
34 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.416185 0.77027
35 SER GLU CYS THR THR PRO CYS 0.416107 0.838235
36 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.414201 0.819444
37 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.414201 0.819444
38 ILE MET ASP GLN VAL PRO PHE SER VAL 0.413793 0.76
39 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.410526 0.719512
40 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.408537 0.783784
41 ACE PRO ILE GLN GLU GLU 0.407143 0.728571
42 LYS PRO PHE PTR VAL ASN VAL NH2 0.403509 0.826667
43 LEU PRO PHE ASP LYS SER THR ILE MET 0.403315 0.786667
44 LYS LEU THR PRO LEU CYS VAL THR LEU 0.402516 0.826087
45 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.401198 0.756757
46 LYS THR PHE PRO PRO THR GLU PRO LYS 0.4 0.814286
47 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.4 0.802632
48 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.4 0.74026
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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