Research workbench
Crystal structure of major birch pollen allergen bet V 1 a in ternary complex with kinetin and 8-anilinonaphthalene-1- sulfonate (ans)
Analyse Crystal structure of major birch pollen allergen bet V 1 a in ternary complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4A86
- 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
- 2AN, H35, SO4
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major pollen allergen bet V 1-a | protein | 159 | 26% helix, 40% strand | P15494 |
Ligands and binding sites
- 2AN · 8-anilino-1-naphthalene sulfonate · ligand · chains A
- H35 · N-(furan-2-ylmethyl)-7H-purin-6-amine · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · 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 | 515 | 0.83 | 0.88 | 49 | 2AN, H35 |
Compared structures
- 4A86 · Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with… · 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 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 P15494
- Elsewhere: RCSB PDB 4A86 · PDBe 4A86 · UniProt P15494
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