Receptor
PDB id Resolution Class Description Source Keywords
3TL1 1.8 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE STREPTOMYCES COELICOLOR WHIE ORFVI AROMATASE/CYCLASE STREPTOMYCES COELICOLOR HELIX-GRIP FOLD POLYKETIDE C9-C14 AROMATASE/CYCLASE LINEARBETA-KETONE INTERMEDIATE BIOSYNTHETIC PROTEIN
Ref.: INSIGHT INTO THE MOLECULAR BASIS OF AROMATIC POLYKE CYCLIZATION: CRYSTAL STRUCTURE AND IN VITRO CHARACT OF WHIE-ORFVI. BIOCHEMISTRY V. 51 3079 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:161;
A:162;
B:161;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
JRO A:160;
B:160;
Valid;
Valid;
none;
none;
submit data
258.226 C14 H10 O5 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TL1 1.8 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE STREPTOMYCES COELICOLOR WHIE ORFVI AROMATASE/CYCLASE STREPTOMYCES COELICOLOR HELIX-GRIP FOLD POLYKETIDE C9-C14 AROMATASE/CYCLASE LINEARBETA-KETONE INTERMEDIATE BIOSYNTHETIC PROTEIN
Ref.: INSIGHT INTO THE MOLECULAR BASIS OF AROMATIC POLYKE CYCLIZATION: CRYSTAL STRUCTURE AND IN VITRO CHARACT OF WHIE-ORFVI. BIOCHEMISTRY V. 51 3079 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3TL1 - JRO C14 H10 O5 CC1=Cc2cc3....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3TL1 - JRO C14 H10 O5 CC1=Cc2cc3....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 3TL1 - JRO C14 H10 O5 CC1=Cc2cc3....
2 3TVQ - DQH C15 H12 O7 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: JRO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JRO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TL1; Ligand: JRO; 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: 3tl1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TL1; Ligand: JRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3tl1.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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