MolNFT v1 · #48131 · protein
Crystal structure of propionate catabolism operon regulatory protein prpr
2PJU: “Crystal structure of propionate catabolism operon regulatory protein prpr”. X-ray diffraction, 8 pockets (best druggability 0.80). MolNFT v1 #48131 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2PJU
- Type
- protein
- Length
- 766 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Propionate catabolism operon regulatory protein
- UniProt
- P77743
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Propionate catabolism operon regulatory protein | protein | 186 | 48% helix, 21% strand | P77743 |
| B | Propionate catabolism operon regulatory protein | protein | 184 | 51% helix, 21% strand | P77743 |
| C | Propionate catabolism operon regulatory protein | protein | 188 | 52% helix, 22% strand | P77743 |
| D | Propionate catabolism operon regulatory protein | protein | 208 | 50% helix, 20% strand | P77743 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 767 | 0.80 | 0.83 | 75 | empty |
| 2 | 543 | 0.73 | 0.81 | 48 | empty |
| 3 | 224 | 0.70 | 0.86 | 39 | empty |
| 4 | 239 | 0.62 | 0.81 | 33 | empty |
| 5 | 192 | 0.61 | 0.82 | 34 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1281 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 902 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 225 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2PJU · Crystal structure of propionate catabolism operon regulatory protein prpR · the same entry in another collection · chain D against D, TM-score 1.00
- P77743 · AlphaFold monomer V2.0 prediction for propionate catabolism operon regulatory protein… · a predicted model of the same protein · chain B against A, TM-score 0.93
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 P77743
- Elsewhere: RCSB PDB 2PJU · PDBe 2PJU · UniProt P77743
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