Receptor
PDB id Resolution Class Description Source Keywords
4Q4K 1.44 Å EC: 1.13.12.16 CRYSTAL STRUCTURE OF NITRONATE MONOOXYGENASE FROM PSEUDOMONA AERUGINOSA PAO1 PSEUDOMONAS AERUGINOSA TIM BARREL NITRONATE MONOOXYGENASE FMN BINDING OXIDOREDUC
Ref.: THE COMBINED STRUCTURAL AND KINETIC CHARACTERIZATIO BACTERIAL NITRONATE MONOOXYGENASE FROM PSEUDOMONAS AERUGINOSA PAO1 ESTABLISHES NMO CLASS I AND II. J.BIOL.CHEM. V. 289 23764 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN B:401;
A:401;
Valid;
Valid;
none;
none;
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456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Q4K 1.44 Å EC: 1.13.12.16 CRYSTAL STRUCTURE OF NITRONATE MONOOXYGENASE FROM PSEUDOMONA AERUGINOSA PAO1 PSEUDOMONAS AERUGINOSA TIM BARREL NITRONATE MONOOXYGENASE FMN BINDING OXIDOREDUC
Ref.: THE COMBINED STRUCTURAL AND KINETIC CHARACTERIZATIO BACTERIAL NITRONATE MONOOXYGENASE FROM PSEUDOMONAS AERUGINOSA PAO1 ESTABLISHES NMO CLASS I AND II. J.BIOL.CHEM. V. 289 23764 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4Q4K - 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 4Q4K - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4Q4K - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3BW2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3BW3 - NIE C2 H5 N O2 CC[N+](=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
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 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Q4K; Ligand: FMN; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 4q4k.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z6I FMN 43.6975
2 2Z6I FMN 43.6975
3 2Z6J FMN 45.098
4 2Z6J FMN 45.098
5 5GVH FMN 45.6583
Pocket No.: 2; Query (leader) PDB : 4Q4K; Ligand: FMN; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 4q4k.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z6I FMN 43.6975
2 2Z6I FMN 43.6975
3 2Z6J FMN 45.098
4 2Z6J FMN 45.098
5 5GVH FMN 45.6583
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