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2.05 a crystal structure of the amb a 11 cysteine protease, a major ragweed pollen allergen, in its proform

Analyse 2.05 a crystal structure of the amb a 11 cysteine protease, a major ragweed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5EF4
Type
protein
Length
650 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cysteine protease
UniProt
V5LU01
Pockets
5 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine proteaseprotein32834% helix, 16% strandV5LU01
BCysteine proteaseprotein32234% helix, 16% strandV5LU01

Ligands and binding sites

  • GOL · Glycerol · additive · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16500.800.8595empty
21230.500.8024empty
31160.470.7923GOL
4690.320.7521empty
5580.260.7218empty

Interfaces

1 interface between chains.

  • A–B · 1542 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5EF4 · 2.05 A crystal structure of the Amb a 11 cysteine protease, a major ragweed pollen… · the same entry in another collection · chain A against A, TM-score 1.00
  • V5LU01 · AlphaFold monomer V2.0 prediction for cysteine protease amb a 11.0101 (V5LU01) · a predicted model of the same protein · chain B against A, TM-score 0.99

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