Receptor
PDB id Resolution Class Description Source Keywords
4OXX 1.21 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CINDOXIN, SURFACE ENTROPY REDUCTION MUT CITROBACTER BRAAKII FLAVOPROTEIN FMN CINDOXIN ELECTRON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF CINDOXIN, THE P450CIN REDOX PA BIOCHEMISTRY V. 53 1435 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:200;
Valid;
none;
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456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OXX 1.21 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CINDOXIN, SURFACE ENTROPY REDUCTION MUT CITROBACTER BRAAKII FLAVOPROTEIN FMN CINDOXIN ELECTRON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF CINDOXIN, THE P450CIN REDOX PA BIOCHEMISTRY V. 53 1435 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4OXX - 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 1205 families.
1 4OXX - 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 1039 families.
1 4OXX - 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 : 4OXX; Ligand: FMN; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 4oxx.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5K9B FMN 25.3086
2 1CZR FMN 29.6296
3 5GXU FMN 32.716
4 1AG9 FMN 32.716
5 2FCR FMN 33.3333
6 4H2D FMN 35.8025
7 1BVY FMN 43.2099
8 3FJO FMN 43.8272
9 1B1C FMN 45.679
10 4HEQ FMN 49.3151
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