MolNFT v1 · #143343 · protein
Structure of pr 10 allergen ara H 8.01 in complex with quercetin
6AWS · Ara H 8 allergen: “Structure of pr 10 allergen ara H 8.01 in complex with quercetin”. X-ray diffraction, 4 ligands (QUE, NA, UNL), 5 pockets (best druggability 0.83). MolNFT v1 #143343 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6AWS
- Type
- protein
- Length
- 468 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ara H 8 allergen
- UniProt
- Q6VT83
- Ligands
- QUE, NA, UNL, CL
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Ara H 8 allergen | protein | 156 | 30% helix, 46% strand | Q6VT83 |
Ligands and binding sites
- QUE · 3,5,7,3',4'-pentahydroxyflavone · ligand · 6 copies · chains A, C
- NA · Sodium ion · metal · 3 copies · chains A, B, C
- UNL · Unknown ligand · ion · 3 copies · chains A
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 725 | 0.83 | 0.86 | 61 | QUE, UNL |
| 2 | 728 | 0.82 | 0.85 | 67 | QUE |
| 3 | 328 | 0.69 | 0.82 | 46 | empty |
| 4 | 251 | 0.53 | 0.76 | 39 | empty |
| 5 | 81 | 0.37 | 0.77 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–C · 668 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 474 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6AWS · Structure of PR 10 Allergen Ara h 8.01 in complex with quercetin · 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
- Every structure of UniProt Q6VT83
- Elsewhere: RCSB PDB 6AWS · PDBe 6AWS · UniProt Q6VT83
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