Receptor
PDB id Resolution Class Description Source Keywords
3B0P 1.7 Å EC: 7.-.-.- TRNA-DIHYDROURIDINE SYNTHASE FROM THERMUS THERMOPHILUS THERMUS THERMOPHILUS TIM BARREL OXIDOREDUCTASE
Ref.: MOLECULAR BASIS OF DIHYDROURIDINE FORMATION ON TRNA PROC.NATL.ACAD.SCI.USA V. 108 19593 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:351;
B:351;
Valid;
Valid;
none;
none;
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456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3B0P 1.7 Å EC: 7.-.-.- TRNA-DIHYDROURIDINE SYNTHASE FROM THERMUS THERMOPHILUS THERMUS THERMOPHILUS TIM BARREL OXIDOREDUCTASE
Ref.: MOLECULAR BASIS OF DIHYDROURIDINE FORMATION ON TRNA PROC.NATL.ACAD.SCI.USA V. 108 19593 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3B0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3B0P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 3B0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3B0P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 3B0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3B0P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3B0P; Ligand: FMN; Similar sites found with APoc: 12
This union binding pocket(no: 1) in the query (biounit: 3b0p.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4JIQ 1L5 2.57143
2 4JIQ FMN 2.57143
3 2Q3R FMN 4
4 2HSA FMN 4.28571
5 2Q3O FMN 4.28571
6 1VYP FMN 4.28571
7 1VYP TNF 4.28571
8 4QNW FMN 4.59184
9 1Z44 FMN 6.21302
10 1Z42 FMN 6.21302
11 1Z48 FMN 6.21302
12 4XP7 FNR 23.1214
Pocket No.: 2; Query (leader) PDB : 3B0P; Ligand: FMN; 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: 3b0p.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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