MolNFT v1 · #18558 · protein
Structure of the E. COLI paai protein from the phyenylacetic acid degradation operon
1PSU · Phenylacetic acid degradation protein paai: “Structure of the E. COLI paai protein from the phyenylacetic acid degradation operon”. X-ray diffraction, 1 pocket (best druggability 0.80). MolNFT v1 #18558 on GenesisL1: 3D structure…
- PDB
- 1PSU
- Type
- protein
- Length
- 268 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylacetic acid degradation protein paai
- UniProt
- P76084
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylacetic acid degradation protein paai | protein | 131 | 31% helix, 43% strand | P76084 |
| B | Phenylacetic acid degradation protein paai | protein | 137 | 27% helix, 42% strand | P76084 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 802 | 0.80 | 0.83 | 92 | empty |
Interfaces
1 interface between chains.
- A–B · 843 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 1PSU · Structure of the E. coli PaaI protein from the phyenylacetic acid degradation operon · the same entry in another collection · chain A against A, TM-score 1.00
- P76084 · AlphaFold monomer V2.0 prediction for acyl-coenzyme a thioesterase paai (P76084) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P76084
- Elsewhere: RCSB PDB 1PSU · PDBe 1PSU · UniProt P76084
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