MolNFT v1 · #37150 · protein
Structure of the E. COLI paai protein from the phyenylacetic acid degradation operon
2FS2 · Phenylacetic acid degradation protein paai: “Structure of the E. COLI paai protein from the phyenylacetic acid degradation operon”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.75). MolNFT v1 #37150 on…
- 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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