Receptor
PDB id Resolution Class Description Source Keywords
2Z6D 2 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF LOV1 DOMAIN OF PHOTOTROPIN2 FROM ARABIDOPSIS THALIANA ARABIDOPSIS THALIANA PAS-FOLD LOV-FOLD ALTERNATIVE SPLICING ATP-BINDING CHROMOPHORE FLAVOPROTEIN FMN KINASE MEMBRANE NUCLEOTIDE-BINDING PHOSPHORYLATION PHOTORECEPTOR PROTEINRECEPTOR SENSORY TRANSDUCTION SERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: STRUCTURAL BASIS OF THE LOV1 DIMERIZATION OF ARABIDOPSIS PHOTOTROPINS 1 AND 2 J.MOL.BIOL. V. 381 718 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Z6D 2 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF LOV1 DOMAIN OF PHOTOTROPIN2 FROM ARABIDOPSIS THALIANA ARABIDOPSIS THALIANA PAS-FOLD LOV-FOLD ALTERNATIVE SPLICING ATP-BINDING CHROMOPHORE FLAVOPROTEIN FMN KINASE MEMBRANE NUCLEOTIDE-BINDING PHOSPHORYLATION PHOTORECEPTOR PROTEINRECEPTOR SENSORY TRANSDUCTION SERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: STRUCTURAL BASIS OF THE LOV1 DIMERIZATION OF ARABIDOPSIS PHOTOTROPINS 1 AND 2 J.MOL.BIOL. V. 381 718 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 125 families.
1 2Z6D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 95 families.
1 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2Z6D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 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....
5 2PR5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1N9N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6RHG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 6RHF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 6QQJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 6QQK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 6QSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 6QQH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 6QQI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 6I25 - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
27 6I21 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 6I22 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 6I23 - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
30 6I24 - 5DD C18 H24 N3 O9 P Cc1cc2c(cc....
31 5SVV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 5SVW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 4R38 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
34 6GPU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 6GPV - LUM C12 H10 N4 O2 Cc1cc2c(cc....
36 2Z6D - 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 : 2Z6D; Ligand: FMN; Similar sites found with APoc: 12
This union binding pocket(no: 1) in the query (biounit: 2z6d.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4HIA FMN 42.3077
2 4HIA FMN 42.3077
3 3D72 FAD 45.3846
4 3IS2 FAD 45.3846
5 3IS2 FAD 45.3846
6 3D72 FAD 45.3846
7 3P7N FMN 45.3846
8 3P7N FMN 45.3846
9 3T50 FMN 46.875
10 3T50 FMN 46.875
11 3T50 FMN 46.875
12 3T50 FMN 46.875
Pocket No.: 2; Query (leader) PDB : 2Z6D; Ligand: FMN; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 2z6d.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4HIA FMN 42.3077
2 4HIA FMN 42.3077
3 3D72 FAD 45.3846
4 3IS2 FAD 45.3846
5 3IS2 FAD 45.3846
6 3D72 FAD 45.3846
7 3P7N FMN 45.3846
8 3P7N FMN 45.3846
9 3T50 FMN 46.875
10 3T50 FMN 46.875
11 3T50 FMN 46.875
12 3T50 FMN 46.875
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