GL1X · GenesisL1 explorer

MolNFT v1 · #12470 · protein

Orthorhombic form of PAPAIN/ZLFG-dam covalent complex

1KHQ: “Orthorhombic form of PAPAIN/ZLFG-dam covalent complex”. X-ray diffraction, 1 ligand (0HQ). MolNFT v1 #12470 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1KHQ
Type
protein
Length
215 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Papain; Peptidic inhibitor
EC
3.4.22.2
UniProt
P00784
Ligands
0HQ

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APapain (EC 3.4.22.2)protein21225% helix, 22% strandP00784
IPeptidic inhibitorprotein30% helix, 33% strand—

Ligands and binding sites

  • 0HQ · Diazomethane · ion · chains A, I

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

Interfaces

1 interface between chains.

  • A–I · 305 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 1KHQ · Orthorhombic form of PAPAIN/ZLFG-dam covalent complex · 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 0.99

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