Research workbench
Crystal structure of cleaved equine leucocyte elastase inhibitor determined at 1.95 ångströms resolution
Analyse Crystal structure of cleaved equine leucocyte elastase inhibitor determined at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HLE
- Type
- protein
- Length
- 375 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Horse leukocyte elastase inhibitor
- UniProt
- P05619
- Ligands
- ACE, CA
- Pockets
- 1 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Horse leukocyte elastase inhibitor | protein | 344 | 35% helix, 35% strand | P05619 |
| B | Horse leukocyte elastase inhibitor | protein | 31 | 0% helix, 61% strand | P05619 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.42 | 0.82 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 2493 Ų buried · 44 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1HLE · Crystal structure of cleaved equine leucocyte elastase inhibitor determined at 1.95… · the same entry in another collection · chain A against A, TM-score 1.00
- P05619 · AlphaFold monomer V2.0 prediction for leukocyte elastase inhibitor (P05619) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 P05619
- Elsewhere: RCSB PDB 1HLE · PDBe 1HLE · UniProt P05619
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