Receptor
PDB id Resolution Class Description Source Keywords
5W99 1.59 Å NON-ENZYME: OTHER PYRIDINE SYNTHASE, PBTD, FROM GE2270 BIOSYNTHESIS BOUND TO T PLANOBISPORA ROSEA PYRIDINE SYNTHASE DIELS-ALDER THIOPEPTIDE BIOSYNTHETIC PR
Ref.: STRUCTURAL INSIGHTS INTO ENZYMATIC [4+2] AZA-CYCLOA IN THIOPEPTIDE ANTIBIOTIC BIOSYNTHESIS. PROC. NATL. ACAD. SCI. V. 114 12928 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:403;
A:402;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
A1V A:401;
 Valid;
 none;
 submit data
528.607 C20 H12 N6 O4 S4 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W99 1.59 Å NON-ENZYME: OTHER PYRIDINE SYNTHASE, PBTD, FROM GE2270 BIOSYNTHESIS BOUND TO T PLANOBISPORA ROSEA PYRIDINE SYNTHASE DIELS-ALDER THIOPEPTIDE BIOSYNTHETIC PR
Ref.: STRUCTURAL INSIGHTS INTO ENZYMATIC [4+2] AZA-CYCLOA IN THIOPEPTIDE ANTIBIOTIC BIOSYNTHESIS. PROC. NATL. ACAD. SCI. V. 114 12928 2017 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5W99 - A1V C20 H12 N6 O4 S4 c1cc(nc(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5W99 - A1V C20 H12 N6 O4 S4 c1cc(nc(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5W99 - A1V C20 H12 N6 O4 S4 c1cc(nc(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A1V; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 A1V 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: A1V; 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 : 5W99; Ligand: A1V; 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: 5w99.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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