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MolNFT v1 · #52395 · protein

Crystal structure of the major allergen from fire ant venom, sol I 3

2VZN · Venom allergen 3: “Crystal structure of the major allergen from fire ant venom, sol I 3”. X-ray diffraction, 4 pockets (best druggability 0.64). MolNFT v1 #52395 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2VZN
Type
protein
Length
419 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Venom allergen 3
UniProt
P35778
Pockets
4 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVenom allergen 3protein21632% helix, 16% strandP35778
BVenom allergen 3protein20333% helix, 18% strandP35778

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14270.640.7747empty
23900.610.7742empty
31280.390.7416empty
4880.330.7416empty

Interfaces

1 interface between chains.

  • A–B · 642 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 2VZN · Crystal structure of the major allergen from fire ant venom, Sol i 3 · the same entry in another collection · chain A against A, TM-score 1.00
  • P35778 · AlphaFold monomer V2.0 prediction for venom allergen 3 (P35778) · a predicted model of the same protein · chain B against A, TM-score 0.97

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