Receptor
PDB id Resolution Class Description Source Keywords
2V0U 1.4 Å NON-ENZYME: OTHER N- AND C-TERMINAL HELICES OF OAT LOV2 (404-546) ARE INVOLVED IN LIGHT-INDUCED SIGNAL TRANSDUCTION (CRYO DARK S TRUCTURE OF LOV2 (404-546)) AVENA SATIVA LOV2 KINASE TRANSFERASE ATP-BINDING AVENA SATIVA SERINE/THREONINE-PROTEIN KINASE LIGHT-INDUCED SIGNAL TRANSPHOTOTROPIN1 NUCLEOTIDE-BINDING
Ref.: N- AND C-TERMINAL FLANKING REGIONS MODULATE LIGHT-I SIGNAL TRANSDUCTION IN THE LOV2 DOMAIN OF THE BLUE SENSOR PHOTOTROPIN 1 FROM AVENA SATIVA. BIOCHEMISTRY V. 46 14001 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1547;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
GOL A:1548;
A:1549;
A:1550;
A:1551;
A:1552;
A:1553;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V0U 1.4 Å NON-ENZYME: OTHER N- AND C-TERMINAL HELICES OF OAT LOV2 (404-546) ARE INVOLVED IN LIGHT-INDUCED SIGNAL TRANSDUCTION (CRYO DARK S TRUCTURE OF LOV2 (404-546)) AVENA SATIVA LOV2 KINASE TRANSFERASE ATP-BINDING AVENA SATIVA SERINE/THREONINE-PROTEIN KINASE LIGHT-INDUCED SIGNAL TRANSPHOTOTROPIN1 NUCLEOTIDE-BINDING
Ref.: N- AND C-TERMINAL FLANKING REGIONS MODULATE LIGHT-I SIGNAL TRANSDUCTION IN THE LOV2 DOMAIN OF THE BLUE SENSOR PHOTOTROPIN 1 FROM AVENA SATIVA. BIOCHEMISTRY V. 46 14001 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6QQJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6S45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 6QQK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 6QSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 6QQH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 6QQI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 6GPU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6GPV - LUM C12 H10 N4 O2 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 : 2V0U; Ligand: FMN; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 2v0u.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3P7N FMN 41.0959
2 3P7N FMN 41.0959
3 4WUJ FMN 41.7808
4 4WUJ FMN 41.7808
5 4WUJ FMN 41.7808
6 4WUJ FMN 41.7808
7 4WUJ FMN 41.7808
8 4WUJ FMN 41.7808
9 4WUJ FMN 41.7808
10 4WUJ FMN 41.7808
11 4GCZ FMN 50
12 4GCZ FMN 50
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