Receptor
PDB id Resolution Class Description Source Keywords
1VHN 1.59 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A PUTATIVE FLAVIN OXIDOREDUCTASE WITH F THERMOTOGA MARITIMA STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: THE 1.59 A RESOLUTION CRYSTAL STRUCTURE OF TM0096, MONONUCLEOTIDE BINDING PROTEIN FROM THERMOTOGA MARI PROTEINS V. 55 772 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:322;
 Valid;
 none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
SO4 A:319;
A:320;
A:321;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VHN 1.59 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A PUTATIVE FLAVIN OXIDOREDUCTASE WITH F THERMOTOGA MARITIMA STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: THE 1.59 A RESOLUTION CRYSTAL STRUCTURE OF TM0096, MONONUCLEOTIDE BINDING PROTEIN FROM THERMOTOGA MARI PROTEINS V. 55 772 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 1VHN - 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 337 families.
1 1VHN - 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 225 families.
1 1VHN - 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 : 1VHN; Ligand: FMN; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1vhn.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4XP7 FNR 32.0755
2 3W9Z FMN 37.4214
3 3B0P FMN 37.4214
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