MolNFT v1 · #85297 · protein
Crystal structure of major birch pollen allergen bet V 1 a in complex with deoxycholate.
4A83 · Major pollen allergen bet V 1-a: “Crystal structure of major birch pollen allergen bet V 1 a in complex with deoxycholate.”. X-ray diffraction, 2 ligands (DXC, SO4), 1 pocket (best druggability 0.80). MolNFT v1 #85297 on GenesisL1…
- PDB
- 4A83
- Type
- protein
- Length
- 159 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major pollen allergen bet V 1-a
- UniProt
- P15494
- Ligands
- DXC, SO4
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major pollen allergen bet V 1-a | protein | 159 | 26% helix, 39% strand | P15494 |
Ligands and binding sites
- DXC · (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid · ligand · 2 copies · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · 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 | 657 | 0.80 | 0.84 | 60 | DXC, MPD |
Compared structures
- 4A83 · Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with deoxycholate. · the same entry in another collection · chain A against A, TM-score 1.00
- P15494 · AlphaFold monomer V2.0 prediction for major pollen allergen bet V 1-a (P15494) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P15494
- Elsewhere: RCSB PDB 4A83 · PDBe 4A83 · UniProt P15494
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