Receptor
PDB id Resolution Class Description Source Keywords
6BKA 1.65 Å EC: 1.13.12.16 CRYSTAL STRUCTURE OF NITRONATE MONOOXYGENASE FROM CYBERLINDN SATURNUS CYBERLINDNERA MRAKII MONOOXYGENASE PROPIONATE 3-NITRONATE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF YEAST NITRONATE MONOOXYGENASE CYBERLINDNERA SATURNUS. PROTEINS V. 86 599 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:403;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
33O A:402;
 Invalid;
 none;
 submit data
590.699 C26 H54 O14 C(COC...
FMN A:401;
 Valid;
 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
6BKA 1.65 Å EC: 1.13.12.16 CRYSTAL STRUCTURE OF NITRONATE MONOOXYGENASE FROM CYBERLINDN SATURNUS CYBERLINDNERA MRAKII MONOOXYGENASE PROPIONATE 3-NITRONATE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF YEAST NITRONATE MONOOXYGENASE CYBERLINDNERA SATURNUS. PROTEINS V. 86 599 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6BKA - 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 6BKA - 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 6BKA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
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 : 6BKA; Ligand: FMN; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 6bka.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 6E2A FMN 29.6407
2 6E2A NAD 29.6407
3 2Z6I FMN 37.0482
4 2Z6J FMN 38.253
5 2Z6J FMN 38.253
6 3BW2 FMN 41.4634
7 5GVH FMN 41.7197
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