MolNFT v1 · #177144 · protein
Crystal structure of the human fat mass and obesity associated protein (fto) in complex with SS81
7E8Z · Alpha-ketoglutarate-dependent dioxygenase fto: “Crystal structure of the human fat mass and obesity associated protein (fto) in complex with SS81”. X-ray diffraction, 2 ligands (HZX, ZN), 3 pockets (best druggability 0.68). MolNFT…
- PDB
- 7E8Z
- Type
- protein
- Length
- 441 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.-, 1.14.11.53
- UniProt
- Q9C0B1
- Ligands
- HZX, ZN
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-ketoglutarate-dependent dioxygenase fto (EC 1.14.11.-, 1.14.11.53) | protein | 441 | 43% helix, 22% strand | Q9C0B1 |
Ligands and binding sites
- HZX · 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid · 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
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.68 | 0.83 | 42 | ZN, HZX |
| 2 | 56 | 0.44 | 0.83 | 17 | empty |
| 3 | 59 | 0.27 | 0.73 | 13 | empty |
Compared structures
- 7E8Z · 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 7E8Z · PDBe 7E8Z · UniProt Q9C0B1
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