Receptor
PDB id Resolution Class Description Source Keywords
4R81 1.5 Å EC: 1.-.-.- NAD(P)H:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARB METHANOTHERMOBACTER MARBURGENSIS FLAVODOXIN-LIKE/FOLD OXIDOREDUCTASE FMN NAD
Ref.: A NOVEL CYTOSOLIC NADH:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARBURGENSIS. BIOSCI.REP. V. 34 00167 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN C:300;
A:300;
B:300;
D:300;
Valid;
Valid;
Valid;
Valid;
none;
none;
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
4R81 1.5 Å EC: 1.-.-.- NAD(P)H:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARB METHANOTHERMOBACTER MARBURGENSIS FLAVODOXIN-LIKE/FOLD OXIDOREDUCTASE FMN NAD
Ref.: A NOVEL CYTOSOLIC NADH:QUINONE OXIDOREDUCTASE FROM METHANOTHERMOBACTER MARBURGENSIS. BIOSCI.REP. V. 34 00167 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 352 families.
1 4R81 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 311 families.
1 4R81 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 207 families.
1 4R81 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 17
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 5DD 0.475248 0.972603
9 LFN 0.475 0.643836
10 C3F 0.473684 0.74359
11 CF4 0.463918 0.734177
12 FAY 0.446043 0.864198
13 FNR 0.444444 0.909091
14 RFL 0.442857 0.845238
15 4LS 0.411215 0.875
16 1VY 0.406593 0.769231
17 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R81; 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: 4r81.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4R81; 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: 4r81.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4R81; 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: 4r81.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found with APoc: 6
This union binding pocket(no: 4) in the query (biounit: 4r81.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3JSX CC2 36.4078
2 3JSX FAD 36.4078
3 3JSX CC2 36.4078
4 3JSX CC2 36.4078
5 3JSX FAD 36.4078
6 3JSX FAD 36.4078
Pocket No.: 5; Query (leader) PDB : 4R81; 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: 4r81.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4R81; Ligand: FMN; Similar sites found with APoc: 6
This union binding pocket(no: 6) in the query (biounit: 4r81.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3JSX FAD 36.4078
2 3JSX CC2 36.4078
3 3JSX CC2 36.4078
4 3JSX FAD 36.4078
5 3JSX CC2 36.4078
6 3JSX FAD 36.4078
Pocket No.: 7; Query (leader) PDB : 4R81; 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: 7) in the query (biounit: 4r81.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4R81; 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: 8) in the query (biounit: 4r81.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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