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 1610 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 1331 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 1144 families.
1 2AST Kd = 7 uM ALA GLY SER VAL GLU GLN TPO PRO LYS LYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA GLY SER VAL GLU GLN TPO PRO LYS LYS; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 1 1
2 SER SER GLY LYS VAL PRO LEU 0.528571 0.838235
3 SER SER GLY LYS VAL PRO LEU SER 0.528169 0.852941
4 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.525316 0.842857
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 LEU PRO PHE GLU LYS SER THR VAL MET 0.493976 0.797297
8 ALA THR PRO PHE GLN GLU 0.486486 0.768116
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 THR THR ALA PRO SER LEU SER GLY LYS 0.480519 0.882353
12 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.462428 0.84
13 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.461538 0.746667
14 LYS PRO SEP GLN GLU LEU 0.461538 0.911765
15 GLU LEU PRO LEU VAL LYS ILE 0.460526 0.753623
16 GLN ALA SER TPO PRO ARG NIT 0.45614 0.771084
17 THR THR ALA PRO PHE LEU SER GLY LYS 0.45509 0.857143
18 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.453988 0.90411
19 ACE GLN GLU ARG GLU VAL PRO CYS 0.447368 0.739726
20 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.446429 0.732394
21 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.445161 0.84058
22 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.444444 0.855263
23 ALA ASN GLY GLY ALA SER GLY GLN VAL LYS 0.440789 0.691176
24 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.436782 0.766234
25 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.436047 0.702703
26 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.435294 0.884058
27 ACE PRO VAL GLN GLU THR NH2 0.432624 0.823529
28 GLU LYS PRO SER SER SER 0.432624 0.820895
29 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.432432 0.833333
30 ILE THR ASP GLN VAL PRO PHE SER VAL 0.431953 0.816901
31 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.43038 0.811594
32 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.429379 0.746667
33 LEU LEU CYS SER TPO PRO ASN GLY LEU 0.427673 0.914286
34 SER PRO LYS ARG ILE ALA 0.423841 0.753425
35 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.423313 0.757143
36 ACE GLY LYS SER PHE SER LYS PRO ARG 0.42236 0.828571
37 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.418478 0.710526
38 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.416667 0.701299
39 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.416185 0.77027
40 SER GLU CYS THR THR PRO CYS 0.416107 0.838235
41 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.414201 0.819444
42 ILE MET ASP GLN VAL PRO PHE SER VAL 0.413793 0.76
43 5JP PRO LYS ARG ILE ALA 0.412903 0.733333
44 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.410526 0.719512
45 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.408537 0.783784
46 ACE PRO ILE GLN GLU GLU 0.407143 0.728571
47 LYS PRO PHE PTR VAL ASN VAL NH2 0.403509 0.826667
48 LEU PRO PHE ASP LYS SER THR ILE MET 0.403315 0.786667
49 LYS LEU THR PRO LEU CYS VAL THR LEU 0.402516 0.826087
50 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.4 0.74026
51 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.4 0.802632
52 LYS THR PHE PRO PRO THR GLU PRO LYS 0.4 0.814286
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA GLY SER VAL GLU GLN TPO PRO LYS LYS; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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