MolNFT v1 · #9108 · protein
Crystal structure of cleaved equine leucocyte elastase inhibitor determined at 1.95 ångströms resolution
1HLE · Horse leukocyte elastase inhibitor: “Crystal structure of cleaved equine leucocyte elastase inhibitor determined at 1.95 ångströms resolution”. X-ray diffraction, 2 ligands (ACE, CA), 1 pocket (best druggability 0.42). MolNFT v1…
- 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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