Receptor
PDB id Resolution Class Description Source Keywords
6OMQ 1.86 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PTMU3 COMPLEXED WITH PTM SUBSTRATE STREPTOMYCES PLATENSIS TIM-BARREL OXIDOREDUCTASE
Ref.: CHARACTERIZATION AND CRYSTAL STRUCTURE OF A NONHEME MONOOXYGENASE INVOLVED IN PLATENSIMYCIN AND PLATENC BIOSYNTHESIS. J.AM.CHEM.SOC. V. 141 12406 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN B:408;
A:407;
A:406;
A:408;
B:407;
B:409;
B:406;
 Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
ACT A:401;
A:405;
B:401;
B:403;
A:404;
B:404;
A:402;
A:403;
B:402;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
MZD B:405;
 Valid;
 none;
 submit data
674.783 C31 H51 N2 O10 P S C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6OMQ 1.86 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PTMU3 COMPLEXED WITH PTM SUBSTRATE STREPTOMYCES PLATENSIS TIM-BARREL OXIDOREDUCTASE
Ref.: CHARACTERIZATION AND CRYSTAL STRUCTURE OF A NONHEME MONOOXYGENASE INVOLVED IN PLATENSIMYCIN AND PLATENC BIOSYNTHESIS. J.AM.CHEM.SOC. V. 141 12406 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6OMR - MYM C31 H51 N2 O9 P S C[C@@]12CC....
2 6OMQ - MZD C31 H51 N2 O10 P S C[C@@]12CC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6OMR - MYM C31 H51 N2 O9 P S C[C@@]12CC....
2 6OMQ - MZD C31 H51 N2 O10 P S C[C@@]12CC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6OMR - MYM C31 H51 N2 O9 P S C[C@@]12CC....
2 6OMQ - MZD C31 H51 N2 O10 P S C[C@@]12CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MZD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 MZD 1 1
2 MYM 0.609375 0.848101
3 H2V 0.431034 0.786667
4 PSR 0.42735 0.786667
5 AFY 0.419355 0.78481
6 PNS 0.401786 0.783784
Similar Ligands (3D)
Ligand no: 1; Ligand: MZD; 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 : 6OMQ; Ligand: MZD; 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: 6omq.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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