MolNFT v1 · #135745 · protein
Structure of the aquifex aeolicus LPXC/LPC-069 complex
5U86 · Udp-3-O-acyl-N-acetylglucosamine deacetylase: “Structure of the aquifex aeolicus LPXC/LPC-069 complex”. X-ray diffraction, 4 ligands (81V, ZN, PO4), 2 pockets (best druggability 0.70). MolNFT v1 #135745 on GenesisL1: 3D structure…
- PDB
- 5U86
- Type
- protein
- Length
- 269 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-3-O-acyl-N-acetylglucosamine deacetylase
- EC
- 3.5.1.108
- UniProt
- O67648
- Ligands
- 81V, ZN, PO4, CL
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-3-O-acyl-N-acetylglucosamine deacetylase (EC 3.5.1.108) | protein | 269 | 24% helix, 35% strand | O67648 |
Ligands and binding sites
- 81V · N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl) methyl]phenyl}ethynyl)benzamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · 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 | 431 | 0.70 | 0.81 | 43 | 81V, PO4 |
| 2 | 59 | 0.37 | 0.79 | 19 | empty |
Compared structures
- 5U86 · Structure of the Aquifex aeolicus LpxC/LPC-069 complex · the same entry in another collection · chain A against A, TM-score 1.00
- O67648 · AlphaFold monomer V2.0 prediction for udp-3-O-acyl-N- acetylglucosamine deacetylase… · 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 O67648
- Elsewhere: RCSB PDB 5U86 · PDBe 5U86 · UniProt O67648
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.