Receptor
PDB id Resolution Class Description Source Keywords
1FLM 1.3 Å NON-ENZYME: TRANSPORT DIMER OF FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (MI DESULFOVIBRIO VULGARIS STR. -prime MIYAZAKI ORGANISM_TAXID: 883 FMN BINDING ELECTRON TRANSPORT
Ref.: HOW DO THE X-RAY STRUCTURE AND THE NMR STRUCTURE OF FMN-BINDING PROTEIN DIFFER? ACTA CRYSTALLOGR.,SECT.D V. 56 368 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:123;
B:123;
Valid;
Valid;
none;
none;
Kd = 0.43 nM
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FLM 1.3 Å NON-ENZYME: TRANSPORT DIMER OF FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (MI DESULFOVIBRIO VULGARIS STR. -prime MIYAZAKI ORGANISM_TAXID: 883 FMN BINDING ELECTRON TRANSPORT
Ref.: HOW DO THE X-RAY STRUCTURE AND THE NMR STRUCTURE OF FMN-BINDING PROTEIN DIFFER? ACTA CRYSTALLOGR.,SECT.D V. 56 368 2000
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 nM 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 : 1FLM; 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: 1) in the query (biounit: 1flm.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FLM; 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: 1flm.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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