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MolNFT v1 · #41768 · protein

Structure of yeast proteinase a

2JXR: “Structure of yeast proteinase a”. X-ray diffraction, 4 ligands (2Z3, NAG, BMA), 1 pocket (best druggability 0.66). MolNFT v1 #41768 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2JXR
Type
protein
Length
329 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proteinase a
EC
3.4.23.25
UniProt
P07267
Ligands
2Z3, NAG, BMA, MAN
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProteinase a (EC 3.4.23.25)protein32915% helix, 46% strandP07267

Ligands and binding sites

  • 2Z3 · N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 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
14790.660.78442Z3

Modifications

Observed in the structure: 2 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 2JXR · Structure of yeast proteinase a · the same entry in another collection · chain A against A, TM-score 1.00
  • P07267 · AlphaFold monomer V2.0 prediction for saccharopepsin (P07267) · a predicted model of the same protein · chain A against A, TM-score 0.98

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