MolNFT v1 · #95030 · protein
Crystal structure of the human fat mass and obesity associated protein (fto) in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl) CARBONYL]GLYCINE (IOX3/UN9)
4IE6 · Alpha-ketoglutarate-dependent dioxygenase fto: “Crystal structure of the human fat mass and obesity associated protein (fto) in complex with…”. X-ray diffraction, 2 ligands (UN9, ZN), 4 pockets (best druggability 0.70). MolNFT v1…
- PDB
- 4IE6
- Type
- protein
- Length
- 447 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-ketoglutarate-dependent dioxygenase fto
- EC
- 1.14.11.-
- UniProt
- Q9C0B1
- Ligands
- UN9, ZN
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-ketoglutarate-dependent dioxygenase fto (EC 1.14.11.-) | protein | 447 | 41% helix, 20% strand | Q9C0B1 |
Ligands and binding sites
- UN9 · N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.70 | 0.85 | 39 | ZN, UN9 |
| 2 | 55 | 0.65 | 0.94 | 18 | empty |
| 3 | 57 | 0.35 | 0.78 | 18 | empty |
| 4 | 81 | 0.33 | 0.74 | 18 | empty |
Compared structures
- 4IE6 · Crystal structure of the human fat mass and obesity associated protein (FTO) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9C0B1 · AlphaFold monomer V2.0 prediction for alpha-ketoglutarate-dependent dioxygenase fto… · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9C0B1
- Elsewhere: RCSB PDB 4IE6 · PDBe 4IE6 · UniProt Q9C0B1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.