Receptor
PDB id Resolution Class Description Source Keywords
5UMY 1.78 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF TNMS3 IN COMPLEX WITH TIANCIMYCIN STREPTOMYCES SP. CB03234 GLYOXALASE/BLEOMYCIN RESISTANCE PROTEIN/DIOXYGENASE SUPERFAMSTRUCTURAL GENOMICS PSI-BIOLOGY MIDWEST CENTER FOR STRUCTGENOMICS MCSG ENZYME DISCOVERY FOR NATURAL PRODUCT BIOSYNNATPRO LYASE TIANCIMYCIN-BINDING PROTEIN
Ref.: RESISTANCE TO ENEDIYNE ANTITUMOR ANTIBIOTICS BY SEQUESTRATION. CELL CHEM BIOL V. 25 1075 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TNN A:201;
A:202;
 Valid;
Valid;
 none;
none;
 Kd = 108 nM
485.442 C27 H19 N O8 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UMY 1.78 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF TNMS3 IN COMPLEX WITH TIANCIMYCIN STREPTOMYCES SP. CB03234 GLYOXALASE/BLEOMYCIN RESISTANCE PROTEIN/DIOXYGENASE SUPERFAMSTRUCTURAL GENOMICS PSI-BIOLOGY MIDWEST CENTER FOR STRUCTGENOMICS MCSG ENZYME DISCOVERY FOR NATURAL PRODUCT BIOSYNNATPRO LYASE TIANCIMYCIN-BINDING PROTEIN
Ref.: RESISTANCE TO ENEDIYNE ANTITUMOR ANTIBIOTICS BY SEQUESTRATION. CELL CHEM BIOL V. 25 1075 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 5UMX Kd = 1100 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
2 5UMY Kd = 108 nM TNN C27 H19 N O8 C[C@H]([C@....
3 6BBX Kd = 215 nM D77 C29 H21 N O11 C[C@@]([C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 5UMX Kd = 1100 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
2 5UMY Kd = 108 nM TNN C27 H19 N O8 C[C@H]([C@....
3 6BBX Kd = 215 nM D77 C29 H21 N O11 C[C@@]([C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 5UMX Kd = 1100 nM RBF C17 H20 N4 O6 Cc1cc2c(cc....
2 5UMY Kd = 108 nM TNN C27 H19 N O8 C[C@H]([C@....
3 6BBX Kd = 215 nM D77 C29 H21 N O11 C[C@@]([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TNN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TNN 1 1
2 D77 0.5 0.961538
Similar Ligands (3D)
Ligand no: 1; Ligand: TNN; 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 : 5UMY; Ligand: TNN; 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: 5umy.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5UMY; Ligand: TNN; 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: 5umy.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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