MolNFT v1 · #96374 · protein
Crystal structure of alkb in complex with 5-carboxy-8-hydroxyquinoline (IOX1)
4JHT · Alpha-ketoglutarate-dependent dioxygenase alkb: “Crystal structure of alkb in complex with 5-carboxy-8-hydroxyquinoline (IOX1)”. X-ray diffraction, 2 ligands (8XQ, MN), 1 pocket (best druggability 0.71). MolNFT v1 #96374 on…
- PDB
- 4JHT
- Type
- protein
- Length
- 201 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-ketoglutarate-dependent dioxygenase alkb
- EC
- 1.14.11.33
- UniProt
- P05050
- Ligands
- 8XQ, MN
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-ketoglutarate-dependent dioxygenase alkb (EC 1.14.11.33) | protein | 201 | 16% helix, 35% strand | P05050 |
Ligands and binding sites
- 8XQ · 8-hydroxyquinoline-5-carboxylic acid · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- ACT · Acetate ion · additive · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.71 | 0.86 | 38 | 8XQ, MN, ACT, DMS |
Compared structures
- 4JHT · Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1) · the same entry in another collection · chain A against A, TM-score 1.00
- P05050 · AlphaFold monomer V2.0 prediction for alpha-ketoglutarate-dependent dioxygenase alkb… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P05050
- Elsewhere: RCSB PDB 4JHT · PDBe 4JHT · UniProt P05050
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