Receptor
PDB id Resolution Class Description Source Keywords
4PTZ 1.9 Å EC: 1.5.1.38 CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ALKANESULFONATE FM REDUCTASE SSUE IN FMN-BOUND FORM ESCHERICHIA COLI FLAVODOXIN-LIKE FOLD NADPH-DEPENDENT FMN REDUCTASE SSUD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI SSUE: DEFININ GENERAL CATALYTIC CYCLE FOR FMN REDUCTASES OF THE FLAVODOXIN-LIKE SUPERFAMILY. BIOCHEMISTRY V. 53 3509 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL D:202;
B:204;
B:203;
A:203;
C:203;
B:205;
D:204;
D:203;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FMN A:201;
B:202;
C:201;
A:202;
B:201;
D:201;
C:202;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
PO4 A:204;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6DQO 1.71 Å EC: 1.5.1.38 CRYSTAL STRUCTURE OF SSUE FMN REDUCTASE Y118A MUTANT IN FMN FORM. ESCHERICHIA COLI (STRAIN K12) REDUCTASE FMN NAD(P)H FLAVOPROTEIN OXIDOREDUCTASE
Ref.: NOT AS EASY AS PI : AN INSERTIONAL RESIDUE DOES NOT THE PI-HELIX GAIN-OF-FUNCTION IN TWO-COMPONENT FMN REDUCTASES. PROTEIN SCI. V. 28 123 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6DQO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4PU0 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4PTZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6DQO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4PU0 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4PTZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LTM - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4LTN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4PU0 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4PTZ - 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 : 6DQO; 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: 6dqo.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6DQO; 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: 6dqo.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6DQO; 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: 3) in the query (biounit: 6dqo.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6DQO; 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: 6dqo.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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