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Receptor
PDB id Resolution Class Description Source Keywords
3GB5 2 Å EC: 1.22.1.1 CRYSTAL STRUCTURE OF MUS MUSCULUS IODOTYROSINE DEIODINASE (I TO FMN MUS MUSCULUS IYD IODIDE SALVAGE FLAVOPROTEIN FMN MEMBRANE NADP OXIDOREDUCTASE TRANSMEMBRANE
Ref.: CRYSTAL STRUCTURE OF IODOTYROSINE DEIODINASE, A NOV FLAVOPROTEIN RESPONSIBLE FOR IODIDE SALVAGE IN THYR GLANDS. J.BIOL.CHEM. V. 284 19659 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:303;
A:304;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
FMN A:301;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
PO4 A:302;
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
3GB5 2 Å EC: 1.22.1.1 CRYSTAL STRUCTURE OF MUS MUSCULUS IODOTYROSINE DEIODINASE (I TO FMN MUS MUSCULUS IYD IODIDE SALVAGE FLAVOPROTEIN FMN MEMBRANE NADP OXIDOREDUCTASE TRANSMEMBRANE
Ref.: CRYSTAL STRUCTURE OF IODOTYROSINE DEIODINASE, A NOV FLAVOPROTEIN RESPONSIBLE FOR IODIDE SALVAGE IN THYR GLANDS. J.BIOL.CHEM. V. 284 19659 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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....
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 : 3GB5; Ligand: FMN; Similar sites found with APoc: 33
This union binding pocket(no: 1) in the query (biounit: 3gb5.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 3.0888
2 5NM7 GLY 3.4749
3 4O4Z N2O 3.8961
4 3KP6 SAL 3.97351
5 1ZED PNP 5.01931
6 5C1M OLC 5.6
7 5LWY OLB 5.60748
8 6GMN F4E 6.18557
9 5TVI MYR 6.52174
10 1PVC ILE SER GLU VAL 10.7011
11 1F5V FMN 10.8333
12 2WQF FMN 11.3861
13 3QDY CBS 11.8881
14 3QDX CBS 11.8881
15 3QDW NDG 11.8881
16 3QDV NDG 11.8881
17 2WZV FMN 11.9149
18 5J62 FMN 12.3552
19 5HDJ FMN 12.7413
20 5J6C FMN 12.9353
21 3BM1 FMN 13.6612
22 1BKJ FMN 13.75
23 1YWQ FMN 15
24 4QLX KTC 15.5251
25 4QLX FMN 15.5251
26 3QDL FMN 15.7143
27 5Z84 CHD 16.4706
28 5ZCO CHD 16.4706
29 4EO3 FMN 27.4131
30 3N2S FMN 31.7269
31 1ZCH FMN 34.5098
32 2ISJ FMN 35.6522
33 1NOX FMN 40.4878
Pocket No.: 2; Query (leader) PDB : 3GB5; 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: 3gb5.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
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