Research workbench
Structure of the E. COLI paai protein from the phyenylacetic acid degradation operon
Analyse Structure of the E. COLI paai protein from the phyenylacetic acid degradation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2FS2
- Type
- protein
- Length
- 270 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylacetic acid degradation protein paai
- UniProt
- P76084
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylacetic acid degradation protein paai | protein | 132 | 32% helix, 42% strand | P76084 |
| B | Phenylacetic acid degradation protein paai | protein | 138 | 28% helix, 42% strand | P76084 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 310 | 0.75 | 0.87 | 37 | empty |
| 2 | 445 | 0.70 | 0.81 | 57 | empty |
Interfaces
1 interface between chains.
- A–B · 813 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2FS2 · 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 0.97
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 P76084
- Elsewhere: RCSB PDB 2FS2 · PDBe 2FS2 · UniProt P76084
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