Receptor
PDB id Resolution Class Description Source Keywords
1DOR 2 Å EC: 1.3.98.1 DIHYDROOROTATE DEHYDROGENASE A FROM LACTOCOCCUS LACTIS LACTOCOCCUS LACTIS OXIDOREDUCTASE PYRIMIDINE NUCLEOTIDE BIOSYNTHESIS
Ref.: THE CRYSTAL STRUCTURE OF THE FLAVIN CONTAINING ENZYME DIHYDROOROTATE DEHYDROGENASE A FROM LACTOCOCCUS LACTIS. STRUCTURE V. 5 239 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:312;
B:312;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OVD 2.25 Å EC: 1.3.98.1 THE K136E MUTANT OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDR IN COMPLEX WITH OROTATE LACTOCOCCUS LACTIS HOMODIMER ALPHA-BETA BARREL FLAVOPROTEIN OROTATE COMPLEXENZYME OXIDOREDUCTASE
Ref.: LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE A M REVEAL IMPORTANT FACETS OF THE ENZYMATIC FUNCTION. J.BIOL.CHEM. V. 278 28812 2003
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
2 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
3 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
4 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
8 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
11 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
3 4WZH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
5 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
7 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
11 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
12 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
14 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
17 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
19 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
20 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
3 4WZH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
5 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
7 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
11 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
12 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
14 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
17 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
19 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
20 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 3OIX - 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 : 1OVD; Ligand: FMN; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 1ovd.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1TV5 ORO 16.0772
2 1TV5 FMN 16.0772
3 1F76 FMN 40.5145
4 1F76 ORO 40.5145
5 1EP2 FMN 46.6238
6 1EP2 ORO 46.6238
Pocket No.: 2; Query (leader) PDB : 1OVD; 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: 1ovd.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1OVD; Ligand: ORO; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 1ovd.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1TV5 FMN 16.0772
2 1TV5 ORO 16.0772
3 1F76 FMN 40.5145
4 1F76 ORO 40.5145
5 1GTE IUR 42.4437
6 1GTE FMN 42.4437
7 1EP2 FMN 46.6238
8 1EP2 ORO 46.6238
Pocket No.: 4; Query (leader) PDB : 1OVD; Ligand: ORO; 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: 1ovd.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
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