Receptor
PDB id Resolution Class Description Source Keywords
5EFW 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LOV2-ZDK1 - THE COMPLEX OF OAT LOV2 AND AFFIBODY PROTEIN ZDARK1 AVENA SATIVA LOV DOMAIN PHOTORECEPTOR AFFIBODY OPTOGENETIC TOOL SIGNAPROTEIN
Ref.: LOVTRAP: AN OPTOGENETIC SYSTEM FOR PHOTOINDUCED PRO DISSOCIATION. NAT.METHODS V. 13 755 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:101;
A:602;
B:102;
A:603;
A:605;
A:604;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FMN A:601;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EFW 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LOV2-ZDK1 - THE COMPLEX OF OAT LOV2 AND AFFIBODY PROTEIN ZDARK1 AVENA SATIVA LOV DOMAIN PHOTORECEPTOR AFFIBODY OPTOGENETIC TOOL SIGNAPROTEIN
Ref.: LOVTRAP: AN OPTOGENETIC SYSTEM FOR PHOTOINDUCED PRO DISSOCIATION. NAT.METHODS V. 13 755 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5EFW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5DJU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5EFW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5DJT - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5DJU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5EFW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5DJT - 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 : 5EFW; Ligand: FMN; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 5efw.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3P7N FMN 40.6897
2 4WUJ FMN 41.3793
3 4R38 RBF 44.2857
4 6GBV FMN 45.8904
5 4GCZ FMN 48.2759
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