MolNFT v1 · #103882 · protein
Shewanella oneidensis toxin antitoxin system toxin protein hipa bound with amppnp and mg
4PU5 · Toxin-antitoxin system toxin hipa family: “Shewanella oneidensis toxin antitoxin system toxin protein hipa bound with amppnp and mg”. X-ray diffraction, 3 ligands (ANP, MG, NA), 4 pockets (best druggability 0.78). MolNFT v1 #103882…
- PDB
- 4PU5
- Type
- protein
- Length
- 438 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toxin-antitoxin system toxin hipa family
- UniProt
- Q8EIX3
- Ligands
- ANP, MG, NA
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Toxin-antitoxin system toxin hipa family | protein | 438 | 38% helix, 19% strand | Q8EIX3 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 518 | 0.78 | 0.85 | 52 | MG, ANP, NA |
| 2 | 278 | 0.62 | 0.80 | 32 | empty |
| 3 | 125 | 0.47 | 0.78 | 29 | empty |
| 4 | 82 | 0.41 | 0.79 | 17 | empty |
Compared structures
- 4PU5 · Shewanella oneidensis Toxin Antitoxin System Toxin Protein HipA Bound with AMPPNP and Mg · the same entry in another collection · chain A against A, TM-score 1.00
- Q8EIX3 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase toxin hipa (Q8EIX3) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q8EIX3
- Elsewhere: RCSB PDB 4PU5 · PDBe 4PU5 · UniProt Q8EIX3
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