Receptor
PDB id Resolution Class Description Source Keywords
4XP7 1.9 Å EC: 1.3.1.- CRYSTAL STRUCTURE OF HUMAN TRNA DIHYDROURIDINE SYNTHASE 2 HOMO SAPIENS TRNA DUS OXIDOREDUCTASE
Ref.: FROM BACTERIAL TO HUMAN DIHYDROURIDINE SYNTHASE: AU STRUCTURE DETERMINATION. ACTA CRYSTALLOGR.,SECT.D V. 71 1564 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FNR A:401;
Valid;
none;
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458.36 C17 H23 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XP7 1.9 Å EC: 1.3.1.- CRYSTAL STRUCTURE OF HUMAN TRNA DIHYDROURIDINE SYNTHASE 2 HOMO SAPIENS TRNA DUS OXIDOREDUCTASE
Ref.: FROM BACTERIAL TO HUMAN DIHYDROURIDINE SYNTHASE: AU STRUCTURE DETERMINATION. ACTA CRYSTALLOGR.,SECT.D V. 71 1564 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6EZA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6EZB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6EZC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4XP7 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6EZA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6EZB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6EZC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4XP7 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6EZA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6EZB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6EZC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4XP7 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FNR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FNR 1 1
2 FDA 0.532258 0.892857
3 4LS 0.525773 0.961538
4 4LU 0.480769 0.903614
5 FMN 0.444444 0.909091
6 4MJ 0.418033 0.914634
7 VNR 0.4 0.847059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XP7; Ligand: FNR; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 4xp7.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z44 FMN 1.77515
2 1Z42 FMN 1.77515
3 3B0P FMN 23.1214
4 1VHN FMN 32.0755
5 3W9Z FMN 36.9565
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