Receptor
PDB id Resolution Class Description Source Keywords
1BVY 2.03 Å EC: 1.14.14.1 COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) BACILLUS MEGATERIUM FATTY ACID MONOOXYGENASE HEMOPROTEIN FLAVOPROTEIN ELECTRON TRANSFER OXIDOREDUCTASE
Ref.: STRUCTURE OF A CYTOCHROME P450-REDOX PARTNER ELECTRON-TRANSFER COMPLEX. PROC.NATL.ACAD.SCI.USA V. 96 1863 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1003;
A:1006;
B:1004;
B:1005;
B:1007;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
FMN F:1002;
 Valid;
 none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
HEM A:1000;
B:1001;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BVY 2.03 Å EC: 1.14.14.1 COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) BACILLUS MEGATERIUM FATTY ACID MONOOXYGENASE HEMOPROTEIN FLAVOPROTEIN ELECTRON TRANSFER OXIDOREDUCTASE
Ref.: STRUCTURE OF A CYTOCHROME P450-REDOX PARTNER ELECTRON-TRANSFER COMPLEX. PROC.NATL.ACAD.SCI.USA V. 96 1863 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1BVY - 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 6 families.
1 1BVY - 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 5 families.
1 1BVY - 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 : 1BVY; Ligand: FMN; Similar sites found with APoc: 17
This union binding pocket(no: 1) in the query (biounit: 1bvy.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1CZR FMN 4.14201
2 5K9B FMN 5
3 1AG9 FMN 26.8571
4 1AG9 FMN 26.8571
5 2WC1 FMN 29.1209
6 6EFV FMN 31.9372
7 3FJO FMN 36.1257
8 1OBV FMN 37.8698
9 6T1T FMN 39.7906
10 6T1T FAD 39.7906
11 6T1T NDP 39.7906
12 4H2D FMN 40.6061
13 4OXX FMN 43.2099
14 5FA6 FMN 44.5026
15 5FA6 FAD 44.5026
16 5FA6 NAP 44.5026
17 1B1C FMN 46.9613
APoc FAQ
Feedback