MolNFT v1 · #142760 · protein
Crystal structure of human fto in complex with small-molecule inhibitors
6AEJ · Alpha-ketoglutarate-dependent dioxygenase FTO,ALPHA…: “Crystal structure of human fto in complex with small-molecule inhibitors”. X-ray diffraction, 2 ligands (7YC, ZN), 2 pockets (best druggability 0.69). MolNFT v1 #142760 on…
- PDB
- 6AEJ
- Type
- protein
- Length
- 421 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-ketoglutarate-dependent dioxygenase FTO,ALPHA- ketoglutarate-dependent dioxygenase…
- EC
- 1.14.11.-
- UniProt
- Q9C0B1
- Ligands
- 7YC, ZN
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-ketoglutarate-dependent dioxygenase FTO,ALPHA- ketoglutarate-dependent dioxygenase fto (EC 1.14.11.-) | protein | 421 | 37% helix, 22% strand | Q9C0B1 |
Ligands and binding sites
- 7YC · (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile · 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 327 | 0.69 | 0.83 | 44 | 7YC, ZN |
| 2 | 72 | 0.35 | 0.76 | 16 | empty |
Compared structures
- 6AEJ · Crystal structure of human FTO in complex with small-molecule inhibitors · 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 6AEJ · PDBe 6AEJ · UniProt Q9C0B1
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