MolNFT v1 · #85323 · protein
Crystal structure of native birch pollen allergen bet V 1 isoform J
4A8U · Major pollen allergen bet V 1-J: “Crystal structure of native birch pollen allergen bet V 1 isoform J”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.81). MolNFT v1 #85323 on GenesisL1: 3D structure, binding sites…
- PDB
- 4A8U
- 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-J
- UniProt
- P43183
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major pollen allergen bet V 1-J | protein | 159 | 25% helix, 40% strand | P43183 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- MRD · (4R)-2-methylpentane-2,4-diol · 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 | 498 | 0.81 | 0.87 | 56 | MPD, TRS, MRD |
Compared structures
- 4A8U · Crystal Structure of native Birch Pollen Allergen Bet v 1 isoform j · the same entry in another collection · chain A against A, TM-score 1.00
- P43183 · AlphaFold monomer V2.0 prediction for major pollen allergen bet V 1-J (P43183) · 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 P43183
- Elsewhere: RCSB PDB 4A8U · PDBe 4A8U · UniProt P43183
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