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 3 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 3 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
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3N2S; Ligand: FMN; Similar sites found: 26
This union binding pocket(no: 1) in the query (biounit: 3n2s.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O9U ADZ 0.01518 0.4015 2.81124
2 5BVE 4VG 0.03736 0.40184 3.61446
3 4MPO AMP 0.02184 0.4055 3.92157
4 4UCC ZKW 0.01523 0.40464 5.15021
5 3R4S SLB 0.01828 0.40091 5.62249
6 3R4S SIA 0.02236 0.40066 5.62249
7 2WZV FMN 0.0000006776 0.59965 5.95745
8 5BUK FAD 0.0155 0.41131 9.23695
9 3L8H FX1 0.008063 0.43658 12.2905
10 4XOQ F42 0.0007512 0.45544 13.5266
11 1KQB FMN 0.00000006735 0.61692 14.7465
12 1YKI FMN 0.0000002448 0.61185 14.7465
13 1YKI NFZ 0.0000003311 0.61185 14.7465
14 1KQB BEZ 0.0000001359 0.60388 14.7465
15 1ICV FMN 0.0000001221 0.60299 14.7465
16 3BM1 FMN 0.0000303 0.46745 16.3934
17 1NOX FMN 0.000004019 0.53583 18.0488
18 2ISJ FMN 0.000007212 0.53242 19.1304
19 4EO3 FMN 0.0000001101 0.60491 26.9076
20 4TTB FMN 0.00000002471 0.61007 28.5141
21 3GB5 FMN 0.002142 0.42052 31.7269
22 3QDL FMN 0.00000001268 0.61543 31.9048
23 5J6C FMN 0.000000009951 0.6257 33.3333
24 5J62 FMN 0.00000000005129 0.71586 38.961
25 4QLX FMN 0.00000003745 0.63346 40.6393
26 4QLX KTC 0.0000001048 0.63234 40.6393
Pocket No.: 2; Query (leader) PDB : 3N2S; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3n2s.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3N2S; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3n2s.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3N2S; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3n2s.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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