Receptor
PDB id Resolution Class Description Source Keywords
4WUJ 2.23 Å EC: 3.-.-.- STRUCTURAL BIOCHEMISTRY OF A FUNGAL LOV DOMAIN PHOTORECEPTOR AN EVOLUTIONARILY CONSERVED PATHWAY INTEGRATING BLUE-LIGHT O XIDATIVE STRESS HYPOCREA JECORINA LOV DOMAIN BLUE-LIGHT PHOTORECEPTOR CIRCADIAN CLOCK CIRCCLOCK PROTEIN
Ref.: STRUCTURAL BIOCHEMISTRY OF A FUNGAL LOV DOMAIN PHOT REVEALS AN EVOLUTIONARILY CONSERVED PATHWAY INTEGRA LIGHT AND OXIDATIVE STRESS. STRUCTURE V. 23 116 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:5201;
B:5201;
C:5201;
D:5201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
SO4 B:5202;
A:5202;
C:5202;
C:5203;
D:5202;
D:5203;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WUJ 2.23 Å EC: 3.-.-.- STRUCTURAL BIOCHEMISTRY OF A FUNGAL LOV DOMAIN PHOTORECEPTOR AN EVOLUTIONARILY CONSERVED PATHWAY INTEGRATING BLUE-LIGHT O XIDATIVE STRESS HYPOCREA JECORINA LOV DOMAIN BLUE-LIGHT PHOTORECEPTOR CIRCADIAN CLOCK CIRCCLOCK PROTEIN
Ref.: STRUCTURAL BIOCHEMISTRY OF A FUNGAL LOV DOMAIN PHOT REVEALS AN EVOLUTIONARILY CONSERVED PATHWAY INTEGRA LIGHT AND OXIDATIVE STRESS. STRUCTURE V. 23 116 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 4WUJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4WUJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2PD8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3HJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2PDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3HJI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2PD7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 3D72 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4WUJ - 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 : 4WUJ; Ligand: FMN; Similar sites found with APoc: 15
This union binding pocket(no: 1) in the query (biounit: 4wuj.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6GG9 FMN 36.7347
2 5DJT FMN 41.3793
3 5EFW FMN 41.3793
4 5DJU FMN 41.3793
5 2WKQ FMN 41.4966
6 2V0U FMN 41.7808
7 4GCZ FMN 42.1769
8 3P7N FMN 42.8571
9 5SVV FMN 43.0657
10 6GBV FMN 43.5374
11 4R38 RBF 44.2857
12 3T50 FMN 44.5312
13 4HIA FMN 45.5782
14 5DKK FMN 46.2069
15 2PR5 FMN 48.4848
Pocket No.: 2; Query (leader) PDB : 4WUJ; 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: 4wuj.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4WUJ; 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: 3) in the query (biounit: 4wuj.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4WUJ; 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: 4) in the query (biounit: 4wuj.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4WUJ; 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: 5) in the query (biounit: 4wuj.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4WUJ; 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: 6) in the query (biounit: 4wuj.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4WUJ; 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: 7) in the query (biounit: 4wuj.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4WUJ; 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: 8) in the query (biounit: 4wuj.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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