MolNFT v1 · #151525 · protein
Structure of phenylalanine ammonia-lyase from petroselinum crispum in complex with (R)-apep
6HQF · Phenylalanine ammonia-lyase 1: “Structure of phenylalanine ammonia-lyase from petroselinum crispum in complex with (R)-apep”. X-ray diffraction, 1 ligand (PPH), 19 pockets (best druggability 0.81). MolNFT v1 #151525 on GenesisL1: 3D…
- PDB
- 6HQF
- Type
- protein
- Length
- 1,346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylalanine ammonia-lyase 1
- EC
- 4.3.1.24
- UniProt
- P24481
- Ligands
- PPH
- Pockets
- 19 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylalanine ammonia-lyase 1 (EC 4.3.1.24) | protein | 673 | 60% helix, 4% strand | P24481 |
| B | Phenylalanine ammonia-lyase 1 (EC 4.3.1.24) | protein | 673 | 61% helix, 4% strand | P24481 |
Ligands and binding sites
- PPH · [(1R)-1-amino-2-phenylethyl]phosphonic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1126 | 0.81 | 0.82 | 92 | empty |
| 2 | 164 | 0.58 | 0.82 | 34 | empty |
| 3 | 92 | 0.57 | 0.86 | 22 | PPH |
| 4 | 97 | 0.56 | 0.85 | 24 | PPH |
| 5 | 112 | 0.55 | 0.84 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 4109 Ų buried · 72 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 modified (covalent ligand, nonstandard).
Compared structures
- 6HQF · Structure of Phenylalanine ammonia-lyase from Petroselinum crispum in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P24481 · AlphaFold monomer V2.0 prediction for phenylalanine ammonia-lyase 1 (P24481) · 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 P24481
- Elsewhere: RCSB PDB 6HQF · PDBe 6HQF · UniProt P24481
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