Receptor
PDB id Resolution Class Description Source Keywords
3N2S 1.95 Å EC: 1.5.1.29 STRUCTURE OF NFRA1 NITROREDUCTASE FROM B. SUBTILIS BACILLUS SUBTILIS ALPGA-BETA-ALPHA SANDWICH OXIDOREDUCTASE
Ref.: NADH OXIDASE ACTIVITY OF BACILLUS SUBTILIS NITRORED NFRA1: INSIGHT INTO ITS BIOLOGICAL ROLE. FEBS LETT. V. 584 3916 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:250;
B:250;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
FMN A:400;
B:400;
C:400;
D:400;
 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
3N2S 1.95 Å EC: 1.5.1.29 STRUCTURE OF NFRA1 NITROREDUCTASE FROM B. SUBTILIS BACILLUS SUBTILIS ALPGA-BETA-ALPHA SANDWICH OXIDOREDUCTASE
Ref.: NADH OXIDASE ACTIVITY OF BACILLUS SUBTILIS NITRORED NFRA1: INSIGHT INTO ITS BIOLOGICAL ROLE. FEBS LETT. V. 584 3916 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3N2S - 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 1 families.
1 3N2S - 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 1 families.
1 3N2S - 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 : 3N2S; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3n2s.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5J62 FMN 38.961
2 5J62 FMN 38.961
Pocket No.: 2; Query (leader) PDB : 3N2S; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 3n2s.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5J62 FMN 38.961
2 5J62 FMN 38.961
Pocket No.: 3; Query (leader) PDB : 3N2S; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 3n2s.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5J62 FMN 38.961
2 5J62 FMN 38.961
Pocket No.: 4; Query (leader) PDB : 3N2S; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 3n2s.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5J62 FMN 38.961
2 5J62 FMN 38.961
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