Receptor
PDB id Resolution Class Description Source Keywords
1F76 2.5 Å EC: 1.3.3.1 ESCHERICHIA COLI DIHYDROOROTATE DEHYDROGENASE ESCHERICHIA COLI MONOMER ALPHA-BETA-BARREL FMN BINDING DOMAIN OROTATE COMPOXIDOREDUCTASE
Ref.: E. COLI DIHYDROOROTATE DEHYDROGENASE REVEALS STRUCT FUNCTIONAL DISTINCTION BETWEEN DIFFERENT CLASSES OF DIHYDROOROTATE DEHYDROGENASES STRUCTURE V. 10 1211 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1337;
B:1437;
D:1537;
E:1637;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
FMT B:1438;
B:1439;
B:1440;
D:1538;
D:1539;
E:1638;
E:1639;
E:1640;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
ORO A:1338;
A:1339;
D:1540;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
156.096 C5 H4 N2 O4 C1=C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F76 2.5 Å EC: 1.3.3.1 ESCHERICHIA COLI DIHYDROOROTATE DEHYDROGENASE ESCHERICHIA COLI MONOMER ALPHA-BETA-BARREL FMN BINDING DOMAIN OROTATE COMPOXIDOREDUCTASE
Ref.: E. COLI DIHYDROOROTATE DEHYDROGENASE REVEALS STRUCT FUNCTIONAL DISTINCTION BETWEEN DIFFERENT CLASSES OF DIHYDROOROTATE DEHYDROGENASES STRUCTURE V. 10 1211 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1F76 - ORO C5 H4 N2 O4 C1=C(NC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1F76 - ORO C5 H4 N2 O4 C1=C(NC(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1F76 - ORO C5 H4 N2 O4 C1=C(NC(=O....
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: ORO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ORO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F76; Ligand: FMN; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 1f76.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1GTE FMN 25.8929
2 1GTE IUR 25.8929
3 5XFV FMN 34.4311
4 4WZH FMN 35.7143
5 3OIX FMN 36.3095
6 1OVD ORO 40.5145
7 1OVD FMN 40.5145
Pocket No.: 2; Query (leader) PDB : 1F76; Ligand: ORO; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 1f76.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5XFV FMN 34.4311
2 1OVD ORO 40.5145
3 1OVD FMN 40.5145
Pocket No.: 3; Query (leader) PDB : 1F76; 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: 1f76.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1F76; 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: 1f76.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1F76; 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: 5) in the query (biounit: 1f76.bio4) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1F76; 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: 6) in the query (biounit: 1f76.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1F76; 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: 7) in the query (biounit: 1f76.bio3) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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