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Crystal structure of peroxinitrite treated major birch pollen allergen bet V 1.0101 (isoform a)

Analyse Crystal structure of peroxinitrite treated major birch pollen allergen bet V… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4BTZ
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
Pockets
1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMajor pollen allergen bet V 1-aprotein15926% helix, 40% strandP15494

Ligands and binding sites

  • 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14880.830.8948MPD

Modifications

Observed in the structure: 4 modified (nonstandard).

Compared structures

  • 4BTZ · Crystal Structure of peroxinitrite treated Major Birch Pollen Allergen Bet v 1.0101… · 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

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