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 1610 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 1331 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 (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 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....
4 6I20 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
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 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
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: 21
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 3P7N FMN 40.6897
3 4WUJ FMN 41.3793
4 4WUJ FMN 41.3793
5 4WUJ FMN 41.3793
6 4WUJ FMN 41.3793
7 4WUJ FMN 41.3793
8 4WUJ FMN 41.3793
9 4WUJ FMN 41.3793
10 4WUJ FMN 41.3793
11 4R38 RBF 44.2857
12 4R38 RBF 44.2857
13 4R38 RBF 44.2857
14 4R38 RBF 44.2857
15 4R38 RBF 44.2857
16 4R38 RBF 44.2857
17 4R38 RBF 44.2857
18 4R38 RBF 44.2857
19 6GBV FMN 45.8904
20 4GCZ FMN 48.2759
21 4GCZ FMN 48.2759
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