Receptor
PDB id Resolution Class Description Source Keywords
6GBV 1.63 Å NON-ENZYME: SIGNAL_HORMONE A FAST RECOVERING FULL-LENGTH LOV PROTEIN (DSLOV) FROM THE M PHOTOTROPHIC BACTERIUM DINOROSEOBACTER SHIBAE (DARK STATE) M UTANT DINOROSEOBACTER SHIBAE (STRAIN DSM 164NCIMB 14021 / DFL 12) LIGHT-OXYGEN-VOLTAGE LOV PAS SIGNALING PROTEIN
Ref.: MECHANISTIC BASIS OF THE FAST DARK RECOVERY OF THE PROTEIN DSLOV FROM DINOROSEOBACTER SHIBAE. BIOCHEMISTRY V. 57 4833 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:500;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
PO4 A:501;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GBV 1.63 Å NON-ENZYME: SIGNAL_HORMONE A FAST RECOVERING FULL-LENGTH LOV PROTEIN (DSLOV) FROM THE M PHOTOTROPHIC BACTERIUM DINOROSEOBACTER SHIBAE (DARK STATE) M UTANT DINOROSEOBACTER SHIBAE (STRAIN DSM 164NCIMB 14021 / DFL 12) LIGHT-OXYGEN-VOLTAGE LOV PAS SIGNALING PROTEIN
Ref.: MECHANISTIC BASIS OF THE FAST DARK RECOVERY OF THE PROTEIN DSLOV FROM DINOROSEOBACTER SHIBAE. BIOCHEMISTRY V. 57 4833 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 6GB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6GAY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6GBV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6GBA - FMN C17 H21 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 214 families.
1 6GB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6GAY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6GBV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6GBA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6T74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6GB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6GAY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6GBV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 6GBA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2PR5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1N9N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 6GG9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 6RHG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 6RHF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 6QQJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 6S45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 6QQK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 6QSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 6QQH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 6QQI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 6I25 - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
30 6I21 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 6I22 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 6I23 - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
33 6I24 - 5DD C18 H24 N3 O9 P Cc1cc2c(cc....
34 5SVV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 5SVW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 4R38 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
37 6GPU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 6GPV - LUM C12 H10 N4 O2 Cc1cc2c(cc....
39 2Z6D - 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 : 6GBV; Ligand: FMN; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 6gbv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6RQP OLC 4.80349
2 4HIA FMN 38.3562
3 4HIA FMN 38.3562
4 3IS2 FAD 41.7808
5 4WUJ FMN 43.5374
6 4WUJ FMN 43.5374
7 4WUJ FMN 43.5374
8 4WUJ FMN 43.5374
9 4WUJ FMN 43.5374
10 4WUJ FMN 43.5374
11 4WUJ FMN 43.5374
12 4WUJ FMN 43.5374
13 2WKQ FMN 45.8904
14 5DJT FMN 45.8904
15 5EFW FMN 45.8904
16 5DJU FMN 45.8904
17 5DJU FMN 45.8904
18 3P7N FMN 48.6301
19 3P7N FMN 48.6301
Pocket No.: 2; Query (leader) PDB : 6GBV; 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: 6gbv.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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