MolNFT v1 · #17988 · protein
Binding of chloromethyl ketone substrate analogues to crystalline papain
1PAD: “Binding of chloromethyl ketone substrate analogues to crystalline papain”. X-ray diffraction, 2 ligands (ACE, 0QE). MolNFT v1 #17988 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1PAD
- Type
- protein
- Length
- 216 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Papain; Acetyl-ala-ala-phe-ala-chloromethylketone inhibitor
- EC
- 3.4.22.2
- UniProt
- P00784
- Ligands
- ACE, 0QE
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Papain (EC 3.4.22.2) | protein | 212 | 25% helix, 19% strand | P00784 |
| I | Acetyl-ala-ala-phe-ala-chloromethylketone inhibitor | protein | 4 | 0% helix, 25% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–I · 313 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P00784
- Elsewhere: RCSB PDB 1PAD · PDBe 1PAD · UniProt P00784
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