MolNFT v1 · #143135 · protein
Crystal structure of the C-terminal toxin domain of RHS2 from yersinia entomophaga
6AQK · Toxin protein: “Crystal structure of the C-terminal toxin domain of RHS2 from yersinia entomophaga”. X-ray diffraction, 3 ligands (PT, CL, BR), 2 pockets (best druggability 0.59). MolNFT v1 #143135 on GenesisL1: 3D structure…
- PDB
- 6AQK
- Type
- protein
- Length
- 216 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toxin protein
- Ligands
- PT, CL, BR
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Toxin protein | protein | 216 | 38% helix, 24% strand | — |
Ligands and binding sites
- PT · Platinum (II) ion · metal · 6 copies · chains A
- CL · Chloride ion · ion · 9 copies · chains A
- BR · Bromide ion · ion · 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 | 304 | 0.59 | 0.77 | 34 | BR |
| 2 | 67 | 0.31 | 0.75 | 14 | empty |
Compared structures
- 6AQK · Crystal structure of the C-terminal toxin domain of RHS2 from Yersinia entomophaga · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 6AQK · PDBe 6AQK
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