MolNFT v1 · #28855 · protein
Structure of B. anthrax lethal factor in complex with a hydroxamate inhibitor
1YQY: “Structure of B. anthrax lethal factor in complex with a hydroxamate inhibitor”. X-ray diffraction, 2 ligands (915, ZN), 2 pockets (best druggability 0.79). MolNFT v1 #28855 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1YQY
- Type
- protein
- Length
- 514 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lethal factor
- EC
- 3.4.24.83
- UniProt
- P15917
- Ligands
- 915, ZN
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lethal factor (EC 3.4.24.83) | protein | 514 | 52% helix, 14% strand | P15917 |
Ligands and binding sites
- 915 · (2R)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-N-hydroxy-2-tetrahydro-2H-pyran-4-ylacetamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1165 | 0.79 | 0.81 | 112 | 915 |
| 2 | 178 | 0.59 | 0.82 | 28 | empty |
Compared structures
- 1YQY · Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P15917 · AlphaFold monomer V2.0 prediction for lethal factor (P15917) · a predicted model of the same protein · chain A 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 P15917
- Elsewhere: RCSB PDB 1YQY · PDBe 1YQY · UniProt P15917
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