Receptor
PDB id Resolution Class Description Source Keywords
4TTB 2.45 Å EC: 1.22.1.1 CRYSTAL STRUCTURE OF HOMO SAPIENS IODOTYROSINE DEIODINASE (I TO FMN HOMO SAPIENS OXIDOREDUCTASE FLAVOPROTEIN MEMBRANE TRANSMEMBRANE DEHALIODIDE SALVAGE FMN MONO-IODOTYROSINE NADP
Ref.: A SWITCH BETWEEN ONE- AND TWO-ELECTRON CHEMISTRY OF HUMAN FLAVOPROTEIN IODOTYROSINE DEIODINASE IS CONTR SUBSTRATE. J.BIOL.CHEM. V. 290 590 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN B:301;
A:301;
Valid;
Valid;
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
5YAK 2.3 Å EC: 1.22.1.1 THE CRYSTAL STRUCTURE OF HUMAN IYD THR239 MUTANT WITH LIGAND FLUOROTYROSINE (F-TYR) HOMO SAPIENS HIYD FMN MFT T239A MUTANT OXIDOREDUCTASE
Ref.: REDOX CONTROL OF IODOTYROSINE DEIODINASE PROTEIN SCI. V. 28 68 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4TTB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5YAK Kd = 1.5 uM YOF C9 H10 F N O3 c1cc(c(cc1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GFD - IYR C9 H10 I N O3 c1cc(c(cc1....
2 3TNZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3GB5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4TTB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 5YAK Kd = 1.5 uM YOF C9 H10 F N O3 c1cc(c(cc1....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GFD - IYR C9 H10 I N O3 c1cc(c(cc1....
2 3TNZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3GB5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4TTB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 5YAK Kd = 1.5 uM YOF C9 H10 F N O3 c1cc(c(cc1....
6 5KRD Kd = 67 uM 6X8 C6 H5 I O c1ccc(c(c1....
7 5KO7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 5KO8 Kd = 8.2 uM IYR C9 H10 I N O3 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5YAK; 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: 5yak.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5YAK; Ligand: YOF; 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: 5yak.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5YAK; 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: 5yak.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5YAK; Ligand: YOF; 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: 5yak.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5YAK; Ligand: YOF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5yak.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5YAK; 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: 6) in the query (biounit: 5yak.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5YAK; 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: 7) in the query (biounit: 5yak.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5YAK; Ligand: YOF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5yak.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5YAK; Ligand: YOF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5yak.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5YAK; Ligand: YOF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5yak.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5YAK; 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: 11) in the query (biounit: 5yak.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5YAK; 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: 12) in the query (biounit: 5yak.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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