MolNFT v1 · #109924 · protein
Crystal structure of salmonella typhimurium propionate kinase A88G mutant, in complex with amppnp and propionate
4XH5: “Crystal structure of salmonella typhimurium propionate kinase A88G mutant, in complex with amppnp and…”. X-ray diffraction, 2 ligands (ANP, SO4), 3 pockets (best druggability 0.60). MolNFT v1 #109924 on GenesisL1: 3D structure…
- PDB
- 4XH5
- Type
- protein
- Length
- 391 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Propionate kinase
- EC
- 2.7.2.15
- UniProt
- O06961
- Ligands
- ANP, SO4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Propionate kinase (EC 2.7.2.15) | protein | 391 | 44% helix, 19% strand | O06961 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · chains A
- PPI · Propanoic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 413 | 0.60 | 0.76 | 45 | PPI |
| 2 | 226 | 0.50 | 0.75 | 20 | empty |
| 3 | 64 | 0.29 | 0.74 | 18 | SO4 |
Compared structures
- 4XH5 · Crystal structure of Salmonella typhimurium propionate kinase A88G mutant, in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- O06961 · AlphaFold monomer V2.0 prediction for propionate kinase (O06961) · a predicted model of the same protein · 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
- Every structure of UniProt O06961
- Elsewhere: RCSB PDB 4XH5 · PDBe 4XH5 · UniProt O06961
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