Receptor
PDB id Resolution Class Description Source Keywords
1b1c 1.93 Å EC: 1.6.2.4 CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHR REDUCTASE AT 1.93A RESOLUTION HOMO SAPIENS FLAVOPROTEIN CYTOCHROME P450 REDUCTASE P450 REDUCTASE FMNDOMAIN FMN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMA CYTOCHROME P450 REDUCTASE AT 1.93 A RESOLUTION. PROTEIN SCI. V. 8 298 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:200;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
FMN A:190;
 Valid;
 none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B1C 1.93 Å EC: 1.6.2.4 CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHR REDUCTASE AT 1.93A RESOLUTION HOMO SAPIENS FLAVOPROTEIN CYTOCHROME P450 REDUCTASE P450 REDUCTASE FMNDOMAIN FMN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMA CYTOCHROME P450 REDUCTASE AT 1.93 A RESOLUTION. PROTEIN SCI. V. 8 298 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1B1C - 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 4 families.
1 1B1C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1B1C - 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 : 1B1C; Ligand: FMN; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 1b1c.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1AG9 FMN 25.1429
2 1AG9 FMN 25.1429
3 2FCR FMN 26.0116
4 6OHK FMN 26.4706
5 5K9B FMN 27.2222
6 2WC1 FMN 30.9392
7 1OBV FMN 35.503
8 1CZR FMN 37.8698
9 6EFV FMN 38.1215
10 4OXX FMN 45.679
11 1BVY FMN 46.9613
12 1TLL FMN 48.0663
13 1TLL FMN 48.0663
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