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+](...
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 257 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 222 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 185 families.
1 4JIZ - TYR HIS SEP VAL VAL ARG TYR ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYR HIS SEP VAL VAL ARG TYR ALA; Similar ligands found: 69
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 0.597403 0.871795
3 ARG LEU TYR HIS SEP LEU PRO ALA 0.556962 0.884615
4 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.532051 0.824324
5 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.528302 0.759494
6 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.509554 0.7625
7 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.503448 0.72973
8 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.496774 0.756757
9 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.491525 0.75
10 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.486486 0.684211
11 ASP ARG VAL TYR ILE HIS PRO PHE 0.485549 0.753086
12 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.472727 0.805195
13 PTR LEU ARG VAL ALA 0.460993 0.791667
14 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.455696 0.716216
15 ALA THR VAL ARG THR TYR SER CYS 0.455172 0.739726
16 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.455128 0.657895
17 ASP SEP TYR GLU VAL LEU ASP LEU 0.451613 0.712329
18 PHE ARG TYR LEU GLY 0.450704 0.702703
19 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.450617 0.8
20 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.450331 0.723684
21 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.450331 0.6875
22 ASP ALA GLU PHE ARG HIS ASP 0.448276 0.736111
23 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.446667 0.702703
24 ALA LYS PHE ARG HIS ASP 0.441379 0.726027
25 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.44 0.8
26 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.43949 0.657895
27 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.439189 0.706667
28 ASP ALA GLU PHE ARG HIS ASP SER 0.437909 0.736111
29 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.435583 0.72
30 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.434066 0.851351
31 TYR TYR SER ILE ILE PRO HIS SER ILE 0.429448 0.703704
32 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.429448 0.703704
33 PCA PHE ARG HIS ASP SER 0.428571 0.726027
34 TYR TYR SER ILE ALA PRO HIS SER ILE 0.427711 0.703704
35 LYS ARG ARG LYS SEP VAL 0.427481 0.75
36 GLN ARG SER THR SEP THR 0.425532 0.739726
37 SER ASP TYR GLN ARG LEU 0.425532 0.69863
38 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.424242 0.706667
39 PHE SER GLN HIS LYS THR SER TPO ILE 0.423529 0.826667
40 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.42236 0.702703
41 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.420213 0.788235
42 PHE TYR ARG ALA LEU MET 0.418301 0.684211
43 ARG GLY TYR VAL TYR GLN GLY LEU 0.418301 0.702703
44 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.415663 0.684211
45 GLU THR VAL ARG PHE GLN SER ASP 0.415094 0.69863
46 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.414474 0.767123
47 GLU LEU LYS TPO GLU ARG TYR 0.414013 0.824324
48 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.413793 0.6625
49 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.4125 0.679012
50 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.411765 0.702703
51 SER HIS PHE ASN GLU TYR GLU 0.411392 0.739726
52 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.409639 0.75
53 DHI PRO PHE HIS LEU LEU VAL TYR 0.409091 0.670886
54 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.408805 0.675676
55 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.408537 0.7625
56 SER SER ARG LYS GLU TYR TYR ALA 0.408451 0.712329
57 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.408284 0.746667
58 GLY ALA ARG ALA HIS SER SER 0.406897 0.756757
59 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.40625 0.743243
60 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.405714 0.654321
61 ACE ALA ARG THR GLU VAL TYR NH2 0.405405 0.712329
62 GLN SER TYR TPO VAL 0.404255 0.739726
63 ALA ARG THR GLU LEU TYR ARG SER LEU 0.403846 0.743243
64 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.403846 0.756757
65 GLY SER SER HIS HIS HIS HIS HIS 0.403101 0.657534
66 GLU LYS VAL HIS VAL GLN 0.402778 0.630137
67 PHQ LEU VAL ARG TYR 0.402597 0.753425
68 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.4 0.726027
69 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.4 0.682927
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: 5
This union binding pocket(no: 1) in the query (biounit: 4jiz.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.02256 0.40779 1.97368
2 1HFU NAG NDG 0.004399 0.41481 2.90698
3 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.009039 0.41097 2.90698
4 2BVE PH5 0.003182 0.43507 4.20168
5 3KL3 GCU 0.01139 0.42435 11.6279
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