Receptor
PDB id Resolution Class Description Source Keywords
6EVE 2.05 Å EC: 4.1.1.- STRUCTURE OF R175A S. CEREVISIAE FDC1 WITH PRFMN IN THE IMIN SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) LYASE
Ref.: THE ROLE OF CONSERVED RESIDUES IN FDC DECARBOXYLASE PRENYLATED FLAVIN MONONUCLEOTIDE OXIDATIVE MATURATI COFACTOR ISOMERIZATION, AND CATALYSIS. J. BIOL. CHEM. V. 293 2272 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4LU C:601;
A:601;
B:601;
D:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
525.469 C22 H30 N4 O9 P Cc1cc...
MN D:602;
B:602;
D:603;
A:602;
C:602;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
K C:603;
A:603;
B:603;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZAC 1.65 Å EC: 4.1.1.- STRUCTURE OF S. CEREVISIAE FDC1 WITH THE PRENYLATED-FLAVIN C THE IMINIUM FORM. SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) (DE)CARBOXYLASE PRENYLATED FLAVIN BINDING UBID-TYPE ENZYME
Ref.: NEW COFACTOR SUPPORTS ALPHA , BETA-UNSATURATED ACID DECARBOXYLATION VIA 1,3-DIPOLAR CYCLOADDITION. NATURE V. 522 502 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4ZAC - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
2 4S13 - 4VP C8 H8 O C=Cc1ccc(c....
3 6EVE - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
4 6EVF - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4ZAC - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
2 4S13 - 4VP C8 H8 O C=Cc1ccc(c....
3 6EVE - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
4 6EVF - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
5 4ZAD - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4ZAC - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
2 4S13 - 4VP C8 H8 O C=Cc1ccc(c....
3 6EVE - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
4 6EVF - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
5 6DA9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 6EV7 - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
7 4ZA8 - F5C C9 H3 F5 O2 C(=C/C(=O)....
8 6EVB - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
9 6EV4 - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
10 4ZA5 - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
11 6EVA - 4MJ C30 H37 N4 O10 P Cc1cc2c3c(....
12 4ZA7 - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
13 6EV9 - BYN C22 H31 N4 O10 P Cc1cc2c3c(....
14 6EV8 - BYN C22 H31 N4 O10 P Cc1cc2c3c(....
15 4ZA9 - 4MJ C30 H37 N4 O10 P Cc1cc2c3c(....
16 6EVC - F5C C9 H3 F5 O2 C(=C/C(=O)....
17 6EV5 - BYN C22 H31 N4 O10 P Cc1cc2c3c(....
18 4ZA4 - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
19 4ZAA - 4M4 C9 H10 O2 COc1cc(ccc....
20 6EV3 - FZZ C22 H29 N4 O9 P Cc1cc2c3c(....
21 4ZAB - 4LW C9 H7 F O2 c1ccc(cc1)....
22 6EVD - BYN C22 H31 N4 O10 P Cc1cc2c3c(....
23 6EV6 - FZZ C22 H29 N4 O9 P Cc1cc2c3c(....
24 4ZAD - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4LU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 4LU 1 1
2 FNR 0.480769 0.903614
3 4MJ 0.460938 0.941176
4 FZZ 0.449153 0.953488
5 4LS 0.433628 0.894118
6 BYN 0.422764 0.987952
7 HJN 0.418033 0.896552
8 9OU 0.415254 0.892857
9 9OC 0.404959 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: 4LU; Similar ligands found: 1
No: Ligand Similarity coefficient
1 FMN 0.8884
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZAC; Ligand: 4LU; 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: 4zac.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZAC; Ligand: 4LU; 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: 4zac.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZAC; Ligand: 4LU; 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: 4zac.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4ZAC; Ligand: 4LU; 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: 4zac.bio3) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4ZAC; Ligand: 4LU; 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: 4zac.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ZAC; Ligand: 4LU; 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: 4zac.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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