MolNFT v1 · #11381 · protein
Crystal structure of the anthrax lethal factor (lf): wild-type lf complexed with the N-terminal sequence of MAPKK2
1JKY: “Crystal structure of the anthrax lethal factor (lf): wild-type lf complexed with the N-terminal sequence of…”. X-ray diffraction, 12 pockets (best druggability 0.84). MolNFT v1 #11381 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1JKY
- Type
- protein
- Length
- 764 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lethal factor; Mitogen-activated protein kinase kinase 2
- EC
- 2.7.1.-
- UniProt
- P15917
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lethal factor | protein | 748 | 44% helix, 9% strand | P15917 |
| B | Mitogen-activated protein kinase kinase 2 (EC 2.7.1.-) | protein | 16 | 0% helix, 0% strand | — |
Pockets
12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 762 | 0.84 | 0.87 | 92 | empty |
| 2 | 193 | 0.78 | 0.93 | 44 | empty |
| 3 | 280 | 0.77 | 0.89 | 38 | empty |
| 4 | 415 | 0.73 | 0.83 | 48 | empty |
| 5 | 104 | 0.57 | 0.85 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 827 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1JKY · Crystal Structure of the Anthrax Lethal Factor (LF): Wild-type LF Complexed with the… · 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 0.98
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 1JKY · PDBe 1JKY · UniProt P15917
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