Receptor
PDB id Resolution Class Description Source Keywords
1E20 2.02 Å EC: 4.1.1.36 THE FMN BINDING PROTEIN ATHAL3 ARABIDOPSIS THALIANA FLAVOPROTEIN REGULATION SIGNAL TRANSDUCTION STRESS
Ref.: THE X-RAY STRUCTURE OF THE FMN-BINDING PROTEIN ATHA PROVIDES THE STRUCTURAL BASIS FOR THE ACTIVITY OF A REGULATORY SUBUNIT INVOLVED IN SIGNAL TRANSDUCTION STRUCTURE V. 8 961 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:803;
 Invalid;
 none;
 submit data
78.133 C2 H6 O S C(CS)...
FMN A:801;
 Valid;
 none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
NI A:802;
 Invalid;
 none;
 submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MVN 2.21 Å EC: 4.1.1.36 PPC DECARBOXYLASE MUTANT C175S COMPLEXED WITH PANTOTHENOYLAMINOETHENETHIOL ARABIDOPSIS THALIANA FLAVOPROTEIN PPC DECARBOXYLASE ACTIVE SITE MUTANT C175S CWITH ENE-THIOL REACTION INTERMEDIATE LYASE
Ref.: CRYSTAL STRUCTURE OF THE PLANT PPC DECARBOXYLASE AT COMPLEXED WITH AN ENE-THIOL REACTION INTERMEDIATE J.MOL.BIOL. V. 327 193 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E20 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1MVL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1MVN - PCO C11 H20 N2 O4 S CC(C)(CO)[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E20 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1MVL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1MVN - PCO C11 H20 N2 O4 S CC(C)(CO)[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E20 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1MVL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1MVN - PCO C11 H20 N2 O4 S CC(C)(CO)[....
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 : 1MVN; 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: 1mvn.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1MVN; 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: 1mvn.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1MVN; 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: 1mvn.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1MVN; Ligand: PCO; 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: 1mvn.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1MVN; Ligand: PCO; 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: 1mvn.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1MVN; Ligand: PCO; 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: 1mvn.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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