MolNFT v1 · #126363 · protein
Alpha-ketoglutarate-dependent non-heme iron oxygenase eash
5M0T: “Alpha-ketoglutarate-dependent non-heme iron oxygenase eash”. X-ray diffraction, 3 ligands (AKG, ZN, FE2), 3 pockets (best druggability 0.84). MolNFT v1 #126363 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5M0T
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-ketoglutarate-dependent non-heme iron oxygenase eash
- Ligands
- AKG, ZN, FE2
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-ketoglutarate-dependent non-heme iron oxygenase eash | protein | 287 | 31% helix, 23% strand | — |
| B | Alpha-ketoglutarate-dependent non-heme iron oxygenase eash | protein | 279 | 32% helix, 23% strand | — |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · 3 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- FE2 · Fe (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.84 | 0.97 | 41 | FE2, AKG |
| 2 | 225 | 0.84 | 0.97 | 39 | FE2, AKG |
| 3 | 50 | 0.24 | 0.72 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2167 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 5M0T · Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 5M0T · PDBe 5M0T
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