Receptor
PDB id Resolution Class Description Source Keywords
2RHI 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-MBT DOMAIN FROM HUMAN L3MBTL1 IN COMPLEX WITH H1.5K27ME2 AT 1.66 ANGSTROM HOMO SAPIENS BETA BARREL PROTEIN-PEPTIDE COMPLEX DIMETHYL-LYSINE ALTERNATIVE SPLICING CHROMATIN REGULATOR DNA-BINDING METAL-BINDING NUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER TRANSCRIPTION/NUCLEAR PROTEIN COMPLEX
Ref.: STRUCTURAL BASIS FOR LOWER LYSINE METHYLATION STATE-SPECIFIC READOUT BY MBT REPEATS OF L3MBTL1 AND AN ENGINEERED PHD FINGER. MOL.CELL V. 28 677 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS ALA THR LYS MLY B:24;
Valid;
none;
submit data
404.532 n/a O=C([...
PEG A:2;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
PG4 A:1;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RHI 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-MBT DOMAIN FROM HUMAN L3MBTL1 IN COMPLEX WITH H1.5K27ME2 AT 1.66 ANGSTROM HOMO SAPIENS BETA BARREL PROTEIN-PEPTIDE COMPLEX DIMETHYL-LYSINE ALTERNATIVE SPLICING CHROMATIN REGULATOR DNA-BINDING METAL-BINDING NUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER TRANSCRIPTION/NUCLEAR PROTEIN COMPLEX
Ref.: STRUCTURAL BASIS FOR LOWER LYSINE METHYLATION STATE-SPECIFIC READOUT BY MBT REPEATS OF L3MBTL1 AND AN ENGINEERED PHD FINGER. MOL.CELL V. 28 677 2007
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LYS ALA THR LYS MLY; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS ALA THR LYS MLY 1 1
2 VAL LYS 0.53125 0.692308
3 ALA LYS 0.507937 0.653846
4 LYS LYS LYS 0.507463 0.692308
5 LYS NLE LYS 0.492958 0.735849
6 ALA ARG THR MLY GLN 0.478261 0.881356
7 LEU LYS 0.463768 0.711538
8 LYS GLN LYS 0.459459 0.679245
9 LYS NVA LYS 0.458333 0.716981
10 LYS DAB LYS 0.450704 0.698113
11 LYS LYS 0.447761 0.673077
12 LYS LEU LYS 0.445946 0.769231
13 GLN LYS 0.442857 0.660377
14 LYS THR LYS 0.44 0.807692
15 LYS ASN LYS 0.432432 0.703704
16 LYS MET LYS 0.428571 0.773585
17 LYS GLU LYS 0.426667 0.679245
18 LYS ARG LYS 0.425 0.62069
19 LYS SER LYS 0.424658 0.754717
20 LYS DPP LYS 0.416667 0.716981
21 LYS LYS LYS ALA 0.413333 0.711538
22 LYS ORN LYS 0.410256 0.666667
23 CYS ASP PTR ALA ASN PHE LYS 0.409091 0.666667
24 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.406977 0.811321
25 LYS ALA LYS 0.405405 0.711538
26 LYS CYS LYS 0.405405 0.698113
27 LYS THR LYS LEU LEU 0.402299 0.865385
28 LEU LYS LEU GLY MLY SER LEU GLY ARG 0.401961 0.909091
29 LYS ASP LYS 0.4 0.698113
Similar Ligands (3D)
Ligand no: 1; Ligand: LYS ALA THR LYS MLY; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback