Research workbench
Crystal structure of anthrax lethal factor active site mutant protein complexed with an optimised peptide substrate in the presence of zinc.
Analyse Crystal structure of anthrax lethal factor active site mutant protein complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PWW
- Type
- protein
- Length
- 1,482 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
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lethal factor (EC 3.4.24.-) | protein | 726 | 53% helix, 13% strand | P15917 |
| B | Lethal factor (EC 3.4.24.-) | protein | 734 | 54% helix, 13% strand | P15917 |
| C, D | LF20 | protein | 11 | 0% helix, 18% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1139 | 0.87 | 0.88 | 117 | empty |
| 2 | 470 | 0.75 | 0.84 | 68 | empty |
| 3 | 69 | 0.71 | 0.96 | 24 | empty |
| 4 | 293 | 0.70 | 0.84 | 40 | empty |
| 5 | 192 | 0.64 | 0.84 | 29 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1281 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 894 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 846 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1PWW · Crystal structure of Anthrax Lethal Factor active site mutant protein complexed with an… · 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 1PWW · PDBe 1PWW · UniProt P15917
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.