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Crystal structure of major allergens, bla G 4 from cockroaches

Analyse Crystal structure of major allergens, bla G 4 from cockroaches in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3EBK
Type
protein
Length
329 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Allergen bla G 4
UniProt
P54962
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAllergen bla G 4protein16524% helix, 38% strandP54962
BAllergen bla G 4protein16423% helix, 38% strandP54962

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1780.770.9917empty
2680.760.9918empty
31190.460.7820empty
41200.380.7433empty
5520.260.7410empty

Interfaces

1 interface between chains.

  • A–B · 640 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3EBK · Crystal structure of major allergens, Bla g 4 from cockroaches · the same entry in another collection · chain A against A, TM-score 1.00
  • P54962 · AlphaFold monomer V2.0 prediction for allergen bla G 4 (P54962) · a predicted model of the same protein · chain B against A, TM-score 0.99

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