MolNFT v1 · #110093 · protein
Anthrax toxin lethal factor with ligand-induced binding pocket
4XM8: “Anthrax toxin lethal factor with ligand-induced binding pocket”. X-ray diffraction, 2 ligands (41T, ZN), 2 pockets (best druggability 0.79). MolNFT v1 #110093 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XM8
- Type
- protein
- Length
- 500 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
- 41T, ZN
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lethal factor (EC 3.4.24.83) | protein | 500 | 51% helix, 15% strand | P15917 |
Ligands and binding sites
- 41T · N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1138 | 0.79 | 0.80 | 111 | 41T, ZN |
| 2 | 145 | 0.50 | 0.79 | 18 | empty |
Compared structures
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 4XM8 · PDBe 4XM8 · UniProt P15917
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