MolNFT v1 · #105662 · protein
Pdua K26A S40L mutant, from salmonella enterica serovar typhimurium LT2
4RBT · Propanediol utilization protein pdua: “Pdua K26A S40L mutant, from salmonella enterica serovar typhimurium LT2”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.36). MolNFT v1 #105662 on GenesisL1: 3D structure…
- PDB
- 4RBT
- Type
- protein
- Length
- 253 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Propanediol utilization protein pdua
- UniProt
- P0A1C7
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Propanediol utilization protein pdua | protein | 89 | 33% helix, 42% strand | P0A1C7 |
| B | Propanediol utilization protein pdua | protein | 82 | 35% helix, 40% strand | P0A1C7 |
| C | Propanediol utilization protein pdua | protein | 82 | 33% helix, 43% strand | P0A1C7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.36 | 0.79 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 730 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 328 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 181 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4RBT · PduA K26A S40L mutant, from Salmonella enterica serovar Typhimurium LT2 · the same entry in another collection · chain A against A, TM-score 1.00
- P0A1C7 · AlphaFold monomer V2.0 prediction for propanediol utilization protein pdua (P0A1C7) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P0A1C7
- Elsewhere: RCSB PDB 4RBT · PDBe 4RBT · UniProt P0A1C7
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