MolNFT v1 · #147219 · protein
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
6E69: “Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments”. X-ray diffraction, 3 ligands (HVP, NAG, FUC). MolNFT v1 #147219 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6E69
- Type
- protein
- Length
- 869 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P08246
- Ligands
- HVP, NAG, FUC
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | — | protein | 218 | — | P08246 |
| D | — | protein | 215 | — | P08246 |
Ligands and binding sites
- HVP · 2-(fluorosulfonyl)benzene-1-sulfonic acid · ligand · 4 copies · chains A, B, C, D
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains A, B, C, D
- FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6E69 · Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase… · the same entry in another collection · chain D against D, TM-score 1.00
- P08246 · AlphaFold monomer V2.0 prediction for neutrophil elastase (P08246) · a predicted model of the same protein · chain D 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 P08246
- Elsewhere: RCSB PDB 6E69 · PDBe 6E69 · UniProt P08246
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