MolNFT v1 · #39565 · protein
Crystal structure of K220A mutant of L-fuconate dehydratase from xanthomonas campestris liganded with mg++ and L-fuconate
2HXU: “Crystal structure of K220A mutant of L-fuconate dehydratase from xanthomonas campestris liganded with mg++…”. X-ray diffraction, 3 ligands (LFC, MG, SO4), 4 pockets (best druggability 0.65). MolNFT v1 #39565 on GenesisL1: 3D…
- PDB
- 2HXU
- Type
- protein
- Length
- 434 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-fuconate dehydratase
- UniProt
- Q8P3K2
- Ligands
- LFC, MG, SO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-fuconate dehydratase | protein | 434 | 47% helix, 17% strand | Q8P3K2 |
Ligands and binding sites
- LFC · 6-deoxy-L-galactonic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · 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 | 177 | 0.65 | 0.85 | 37 | LFC |
| 2 | 58 | 0.58 | 0.91 | 18 | empty |
| 3 | 75 | 0.37 | 0.77 | 17 | empty |
| 4 | 61 | 0.27 | 0.73 | 18 | empty |
Compared structures
- 2HXU · Crystal structure of K220A mutant of L-Fuconate Dehydratase from Xanthomonas campestris… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8P3K2 · AlphaFold monomer V2.0 prediction for L-fuconate dehydratase (Q8P3K2) · a predicted model of the same protein · 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
- Every structure of UniProt Q8P3K2
- Elsewhere: RCSB PDB 2HXU · PDBe 2HXU · UniProt Q8P3K2
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