MolNFT v1 · #22482 · protein
Crystal structure of phenylalanine ammonia lyase from rhodosporidium toruloides
1T6J · Phenylalanine ammonia-lyase: “Crystal structure of phenylalanine ammonia lyase from rhodosporidium toruloides”. X-ray diffraction, 1 ligand (CIN), 13 pockets (best druggability 0.75). MolNFT v1 #22482 on GenesisL1: 3D structure…
- PDB
- 1T6J
- Type
- protein
- Length
- 1,294 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylalanine ammonia-lyase
- EC
- 4.3.1.5
- UniProt
- P11544
- Ligands
- CIN
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phenylalanine ammonia-lyase (EC 4.3.1.5) | protein | 647 | 60% helix, 5% strand | P11544 |
Ligands and binding sites
- CIN · 4-carboxycinnamic acid · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.75 | 0.86 | 39 | empty |
| 2 | 351 | 0.73 | 0.85 | 39 | empty |
| 3 | 612 | 0.63 | 0.74 | 70 | empty |
| 4 | 272 | 0.55 | 0.76 | 46 | empty |
| 5 | 235 | 0.54 | 0.77 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 1200 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered, nonstandard).
Compared structures
- 1T6J · Crystal Structure of Phenylalanine Ammonia Lyase from Rhodosporidium toruloides · the same entry in another collection · chain B against B, TM-score 1.00
- P11544 · AlphaFold monomer V2.0 prediction for PHENYLALANINE/TYROSINE ammonia- lyase (P11544) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P11544
- Elsewhere: RCSB PDB 1T6J · PDBe 1T6J · UniProt P11544
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