Receptor
PDB id Resolution Class Description Source Keywords
4JIZ 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE HUMAN MOB1-PHOSPHOPEPTIDE COMPLEX HOMO SAPIENS SIGNALING PROTEIN
Ref.: ACTIVATION OF THE YEAST HIPPO PATHWAY BY PHOSPHORYLATION-DEPENDENT ASSEMBLY OF SIGNALING COM SCIENCE V. 340 871 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:201;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
TYR HIS SEP VAL VAL ARG TYR ALA B:1;
 Valid;
 none;
 submit data
1058.1 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JIZ 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE HUMAN MOB1-PHOSPHOPEPTIDE COMPLEX HOMO SAPIENS SIGNALING PROTEIN
Ref.: ACTIVATION OF THE YEAST HIPPO PATHWAY BY PHOSPHORYLATION-DEPENDENT ASSEMBLY OF SIGNALING COM SCIENCE V. 340 871 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 4JIZ - TYR HIS SEP VAL VAL ARG TYR ALA 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 266 families.
1 4JIZ - TYR HIS SEP VAL VAL ARG TYR ALA 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 220 families.
1 4JIZ - TYR HIS SEP VAL VAL ARG TYR ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR HIS SEP VAL VAL ARG TYR ALA; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR HIS SEP VAL VAL ARG TYR ALA 1 1
2 ALA ARG SER HIS SEP TYR PRO ALA 0.579618 0.871795
3 ARG ARG GLU VAL HIS THR TYR TYR 0.578231 0.849315
4 ASP ARG VAL TYR ILE HIS PRO PHE 0.568493 0.797297
5 ARG LEU TYR HIS SEP LEU PRO ALA 0.546584 0.884615
6 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.525316 0.824324
7 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.515337 0.759494
8 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.512658 0.7625
9 HIS MET THR GLU VAL VAL ARG HIS CYS 0.509677 0.74359
10 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.509677 0.756757
11 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.503106 0.824324
12 HIS LEU TYR PHE SER SEP ASN 0.477124 0.851351
13 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.473684 0.7
14 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.466258 0.818182
15 HIS MET THR GLU VAL VAL ARG ARG CYS 0.461538 0.730769
16 PTR LEU ARG VAL ALA 0.457746 0.791667
17 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.453333 0.723684
18 ALA ILE LEU HIS ARG LEU LEU GLN 0.453333 0.69863
19 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.45283 0.716216
20 PHE ARG TYR LEU GLY 0.450704 0.702703
21 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.450617 0.8
22 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.447853 0.72
23 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.44375 0.657895
24 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.440252 0.657895
25 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.438272 0.706667
26 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.437909 0.708333
27 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.4375 0.679487
28 ALA LYS PHE ARG HIS ASP 0.436242 0.726027
29 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.433962 0.743243
30 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.433735 0.706667
31 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.433121 0.684211
32 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.432432 0.716216
33 ASP ALA GLU PHE ARG HIS ASP SER 0.432258 0.736111
34 ASP SEP TYR GLU VAL LEU ASP LEU 0.43038 0.726027
35 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.42236 0.679012
36 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.422222 0.8
37 TYR TYR SER ILE ALA PRO HIS SER ILE 0.421687 0.716049
38 GLU THR VAL ARG PHE GLN SER ASP 0.420382 0.684932
39 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.419162 0.684211
40 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.417178 0.710526
41 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.417178 0.702703
42 ALA ARG THR GLU LEU TYR ARG SER LEU 0.416667 0.743243
43 GLN ARG SER THR SEP THR 0.416667 0.739726
44 ACE ALA ARG THR GLU VAL TYR NH2 0.416107 0.712329
45 TYR PHE SER SEP ASN 0.415493 0.712329
46 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.414634 0.726027
47 TYR TYR SER ILE ILE PRO HIS SER ILE 0.414634 0.716049
48 PCA PHE ARG HIS ASP SER 0.414013 0.726027
49 PHQ LEU VAL ARG TYR 0.413333 0.753425
50 SER LEU ARG PHE LEU TYR GLU GLY 0.412903 0.733333
51 PHE TYR ARG ALA LEU MET 0.412903 0.684211
52 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.412903 0.767123
53 PHE SER GLN HIS LYS THR SER TPO ILE 0.412791 0.826667
54 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.4125 0.7625
55 ARG ARG ARG VAL ARG 00S 0.411765 0.638889
56 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.410526 0.788235
57 ARG GLY TYR VAL TYR GLN GLY LEU 0.410256 0.702703
58 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.409357 0.746667
59 ASP ALA GLU PHE ARG HIS ASP 0.408163 0.625
60 GLU LEU LYS TPO GLU ARG TYR 0.407407 0.824324
61 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.406667 0.638889
62 VAL TYR ILE HIS PRO PHE 0.405229 0.670886
63 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.403727 0.716216
64 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.403614 0.733333
65 SER HIS PHE ASN GLU TYR GLU 0.402516 0.739726
66 LYS ARG ARG LYS SEP VAL 0.40146 0.75
67 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.401235 0.743243
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR HIS SEP VAL VAL ARG TYR ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JIZ; Ligand: TYR HIS SEP VAL VAL ARG TYR ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4jiz.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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