MolNFT v1 · #18684 · protein
Crystal structure of anthrax lethal factor wild-type protein complexed with an optimised peptide substrate.
1PWV: “Crystal structure of anthrax lethal factor wild-type protein complexed with an optimised peptide substrate.”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #18684 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1PWV
- Type
- protein
- Length
- 1,487 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lethal factor; LF20
- EC
- 3.4.24.-
- UniProt
- P15917
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lethal factor (EC 3.4.24.-) | protein | 733 | 54% helix, 14% strand | P15917 |
| B | Lethal factor (EC 3.4.24.-) | protein | 736 | 54% helix, 13% strand | P15917 |
| C, D | LF20 | protein | 9 | 0% helix, 33% strand | — |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 515 | 0.84 | 0.90 | 66 | empty |
| 2 | 251 | 0.77 | 0.90 | 34 | empty |
| 3 | 289 | 0.73 | 0.86 | 53 | empty |
| 4 | 352 | 0.73 | 0.84 | 46 | empty |
| 5 | 179 | 0.64 | 0.84 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1308 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 808 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 772 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1PWV · Crystal structure of Anthrax Lethal Factor wild-type protein complexed with an optimised… · 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 B 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 P15917
- Elsewhere: RCSB PDB 1PWV · PDBe 1PWV · UniProt P15917
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