Research workbench
Structure of porcine pancreatic elastase complexed with the elastase inhibitor GR143783
Analyse Structure of porcine pancreatic elastase complexed with the elastase inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BRU
- Type
- protein
- Length
- 241 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Elastase
- EC
- 3.4.21.71
- UniProt
- P08419
- Ligands
- 1NB
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P | Elastase (EC 3.4.21.71) | protein | 241 | 11% helix, 37% strand | P08419 |
Ligands and binding sites
- 1NB · 2-(2-hydroxy-cyclopentyl)-pent-4-enal · ligand · chains P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.48 | 0.85 | 17 | empty |
| 2 | 68 | 0.33 | 0.77 | 18 | 1NB |
Modifications
Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 1BRU · Structure of porcine pancreatic elastase complexed with the elastase inhibitor GR143783 · the same entry in another collection · chain P against P, TM-score 1.00
- P08419 · AlphaFold monomer V2.0 prediction for chymotrypsin-like elastase family member 2A (P08419) · a predicted model of the same protein · chain P against A, TM-score 0.99
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 P08419
- Elsewhere: RCSB PDB 1BRU · PDBe 1BRU · UniProt P08419
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