Receptor
PDB id Resolution Class Description Source Keywords
6SBD 1.4 Å NON-ENZYME: OTHER STRUCTURE OF TYPE II TERPENE CYCLASE MSTE_D109A FROM SCYTONE COMPLEX WITH MEROSTEROLIC ACID A (PRODUCT) SCYTONEMA SP. PCC 10023 TYPE II TERPENE CYCLASE MARINE DRUGS MEROSTEROL ALPHA6-ALBARREL BIOSYNTHETIC PROTEIN
Ref.: A MONODOMAIN CLASS II TERPENE CYCLASE ASSEMBLES COM ISOPRENOID SCAFFOLDS. NAT.CHEM. V. 12 968 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L4B A:406;
 Valid;
 none;
 submit data
426.588 C27 H38 O4 C[C@@...
MPD A:405;
 Invalid;
 none;
 submit data
118.174 C6 H14 O2 C[C@@...
GOL A:402;
A:404;
A:403;
A:401;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SBC 1.35 Å NON-ENZYME: OTHER STRUCTURE OF TYPE II TERPENE CYCLASE MSTE FROM SCYTONEMA IN WITH FARNESYL DIHYDROXYBENZOATE SCYTONEMA SP. PCC 10023 TYPE II TERPENE CYCLASE MARINE DRUGS MEROSTEROL ALPHA6-ALBARREL BIOSYNTHETIC PROTEIN
Ref.: A MONODOMAIN CLASS II TERPENE CYCLASE ASSEMBLES COM ISOPRENOID SCAFFOLDS. NAT.CHEM. V. 12 968 2020
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6SBG - L4E C27 H38 O4 CC(=CCC/C(....
2 6SBC - L4H C22 H30 O4 CC(=CCC/C(....
3 6SBD - L4B C27 H38 O4 C[C@@]12CC....
4 6SBE - L4E C27 H38 O4 CC(=CCC/C(....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6SBG - L4E C27 H38 O4 CC(=CCC/C(....
2 6SBC - L4H C22 H30 O4 CC(=CCC/C(....
3 6SBD - L4B C27 H38 O4 C[C@@]12CC....
4 6SBE - L4E C27 H38 O4 CC(=CCC/C(....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6SBG - L4E C27 H38 O4 CC(=CCC/C(....
2 6SBC - L4H C22 H30 O4 CC(=CCC/C(....
3 6SBD - L4B C27 H38 O4 C[C@@]12CC....
4 6SBE - L4E C27 H38 O4 CC(=CCC/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: L4B; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 L4B 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: L4B; 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 : 6SBC; Ligand: L4H; 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: 6sbc.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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