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Receptor
PDB id Resolution Class Description Source Keywords
1NOX 1.59 Å EC: 1.6.99.3 NADH OXIDASE FROM THERMUS THERMOPHILUS THERMUS THERMOPHILUS FLAVOENZYME FLAVOPROTEIN FMN OXIDOREDUCTASE THERMOPHILE
Ref.: CRYSTAL STRUCTURE OF NADH OXIDASE FROM THERMUS THER NAT.STRUCT.BIOL. V. 2 1109 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:300;
Valid;
none;
Kd = 90 nM
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NOX 1.59 Å EC: 1.6.99.3 NADH OXIDASE FROM THERMUS THERMOPHILUS THERMUS THERMOPHILUS FLAVOENZYME FLAVOPROTEIN FMN OXIDOREDUCTASE THERMOPHILE
Ref.: CRYSTAL STRUCTURE OF NADH OXIDASE FROM THERMUS THER NAT.STRUCT.BIOL. V. 2 1109 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NOX Kd = 90 nM 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 2 families.
1 1NOX Kd = 90 nM 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 2 families.
1 1NOX Kd = 90 nM 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 : 1NOX; Ligand: FMN; Similar sites found with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 1nox.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3WH2 FLC None
2 5C9P FUC 5.85366
3 2WQF FMN 6.43564
4 5KO8 FMN 15.122
5 5KO8 IYR 15.122
6 3BM1 FMN 16.3934
7 5J62 FMN 17.0732
8 3N2S FMN 18.0488
9 1F5V FMN 34.1463
10 5J6C FMN 39.5122
11 3QDL FMN 40
12 4EO3 FMN 40
13 3GB5 FMN 40.4878
14 1BKJ FMN 40.9756
15 4QLX KTC 41.9512
16 4QLX FMN 41.9512
17 1ZCH FMN 42.439
18 5HDJ FMN 42.9268
19 1ICV FMN 43.4146
20 1V5Y FMN 43.9024
21 1V5Y 4HC 43.9024
22 2WZV FMN 43.9024
23 5YAK FMN 44.3902
24 5YAK YOF 44.3902
25 1KQB BEZ 44.878
26 1KQB FMN 44.878
27 1YKI FMN 46.8293
28 1YKI NFZ 46.8293
29 1YWQ FMN 47.3171
Pocket No.: 2; Query (leader) PDB : 1NOX; 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: 1nox.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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