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Binding of chloromethyl ketone substrate analogues to crystalline papain

Analyse Binding of chloromethyl ketone substrate analogues to crystalline papain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1PAD
Type
protein
Length
216 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.8
Source
Carica papaya; SYNTHETIC CONSTRUCT
Molecule
Papain; Acetyl-ala-ala-phe-ala-chloromethylketone inhibitor
EC
3.4.22.2
UniProt
P00784

Structure

x-ray diffraction · resolution 2.8 · 2 distinct chains · 24% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APapain (EC 3.4.22.2)protein21225% helix, 19% strandP00784
IAcetyl-ala-ala-phe-ala-chloromethylketone inhibitorprotein40% helix, 25% strand—

Interfaces

1 interface between chains.

  • A–I · 315 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 1PAD · Binding of chloromethyl ketone substrate analogues to crystalline papain · the same entry in another collection · chain A against A, TM-score 1.00
  • P00784 · AlphaFold monomer V2.0 prediction for papain (P00784) · a predicted model of the same protein · chain A against A, TM-score 0.98

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