Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1002;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
PCO A:1001;
Valid;
none;
submit data
276.353 C11 H20 N2 O4 S CC(C)...
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
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
Ligand no: 2; Ligand: PCO; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 PCO 1 1
2 PNY 0.611111 0.9
3 PAU 0.568627 0.875
4 PN4 0.542373 0.830189
5 ENV 0.507937 0.846154
6 ENW 0.492308 0.814815
7 0JR 0.471429 0.785714
8 8H6 0.463768 0.818182
9 SH2 0.44 0.6875
10 OPI 0.424242 0.830189
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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