Receptor
PDB id Resolution Class Description Source Keywords
1Z48 1.8 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF REDUCED YQJM FROM BACILLUS SUBTILIS BACILLUS SUBTILIS FLAVIN FMN BETA-ALPHA-BARREL OXIDOREDUCTASE
Ref.: THE 1.3 A CRYSTAL STRUCTURE OF THE FLAVOPROTEIN YQJM REVEALS A NOVEL CLASS OF OLD YELLOW ENZYMES J.BIOL.CHEM. V. 280 27904 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1500;
B:1501;
Valid;
Valid;
none;
none;
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456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z48 1.8 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF REDUCED YQJM FROM BACILLUS SUBTILIS BACILLUS SUBTILIS FLAVIN FMN BETA-ALPHA-BARREL OXIDOREDUCTASE
Ref.: THE 1.3 A CRYSTAL STRUCTURE OF THE FLAVOPROTEIN YQJM REVEALS A NOVEL CLASS OF OLD YELLOW ENZYMES J.BIOL.CHEM. V. 280 27904 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 1Z48 - 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 1Z48 - 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 1Z48 - 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 : 1Z48; Ligand: FMN; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 1z48.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3B0P FMN 6.21302
2 3B0P FMN 6.21302
3 3ATY FMN 31.3609
4 3ATY FMN 31.3609
5 4QNW FMN 31.9527
6 1OYB FMN 32.8402
7 1OYB HBA 32.8402
8 1ICP FMN 42.6035
9 1ICP FMN 42.6035
10 2Q3R FMN 43.4911
11 2HSA FMN 44.6746
12 2HSA FMN 44.6746
13 2Q3O FMN 44.6746
Pocket No.: 2; Query (leader) PDB : 1Z48; 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: 2) in the query (biounit: 1z48.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Z48; Ligand: FMN; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 1z48.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3B0P FMN 6.21302
2 3B0P FMN 6.21302
3 3ATY FMN 31.3609
4 3ATY FMN 31.3609
5 4QNW FMN 31.9527
6 1ICP FMN 42.6035
7 1ICP FMN 42.6035
8 2Q3R FMN 43.4911
9 2HSA FMN 44.6746
10 2HSA FMN 44.6746
Pocket No.: 4; Query (leader) PDB : 1Z48; 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: 4) in the query (biounit: 1z48.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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