Receptor
PDB id Resolution Class Description Source Keywords
3FGC 2.3 Å EC: 1.14.14.3 CRYSTAL STRUCTURE OF THE BACTERIAL LUCIFERASE:FLAVIN COMPLEX THE BASIS OF INTERSUBUNIT COMMUNICATION VIBRIO HARVEYI FMN BACTERIAL LUCIFERASE MOBILE LOOP FLAVOPROTEIN FMN LUMINESCENCE MONOOXYGENASE OXIDOREDUCTASE PHOTOPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE BACTERIAL LUCIFERASE/FLAVI PROVIDES INSIGHT INTO THE FUNCTION OF THE BETA SUBU BIOCHEMISTRY V. 48 6085 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:3402;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
PO4 A:356;
C:359;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
SO4 A:357;
A:358;
A:359;
A:360;
A:361;
B:333;
B:334;
B:335;
C:356;
C:357;
C:358;
D:333;
D:334;
D:335;
D:336;
D:337;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FGC 2.3 Å EC: 1.14.14.3 CRYSTAL STRUCTURE OF THE BACTERIAL LUCIFERASE:FLAVIN COMPLEX THE BASIS OF INTERSUBUNIT COMMUNICATION VIBRIO HARVEYI FMN BACTERIAL LUCIFERASE MOBILE LOOP FLAVOPROTEIN FMN LUMINESCENCE MONOOXYGENASE OXIDOREDUCTASE PHOTOPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE BACTERIAL LUCIFERASE/FLAVI PROVIDES INSIGHT INTO THE FUNCTION OF THE BETA SUBU BIOCHEMISTRY V. 48 6085 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FGC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FGC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FGC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 5DD 0.475248 0.972603
9 LFN 0.475 0.643836
10 C3F 0.473684 0.74359
11 CF4 0.463918 0.734177
12 FAY 0.446043 0.864198
13 FNR 0.444444 0.909091
14 RFL 0.442857 0.845238
15 4LS 0.411215 0.875
16 1VY 0.406593 0.769231
17 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FGC; 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: 1) in the query (biounit: 3fgc.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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