Receptor
PDB id Resolution Class Description Source Keywords
1I0R 1.5 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF FERRIC REDUCTASE FROM ARCHAEOGLOBUS FUL ARCHAEOGLOBUS FULGIDUS SIX STRANDED ANTIPARALLEL BETA-BARREL FMN AND NADP+ BINDINGOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF A NOVEL FERRIC REDUCTASE FROM HYPERTHERMOPHILIC ARCHAEON ARCHAEOGLOBUS FULGIDUS A COMPLEX WITH NADP+. STRUCTURE V. 9 311 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:2000;
 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
1I0S 1.65 Å EC: 1.-.-.- ARCHAEOGLOBUS FULGIDUS FERRIC REDUCTASE COMPLEX WITH NADP+ ARCHAEOGLOBUS FULGIDUS SIX STRANDED ANTIPARALLEL BETA-BARREL FMN AND NADP+ BINDINGOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF A NOVEL FERRIC REDUCTASE FROM HYPERTHERMOPHILIC ARCHAEON ARCHAEOGLOBUS FULGIDUS A COMPLEX WITH NADP+. STRUCTURE V. 9 311 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 1I0R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1I0S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 1I0R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1I0S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1I0R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1I0S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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 : 1I0S; 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: 1) in the query (biounit: 1i0s.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1I0S; Ligand: NAP; 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: 1i0s.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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