Research workbench
Crystal structure of phenylalanine ammonia lyase (pal) from petroselinum crispum bound to cinnamate
Analyse Crystal structure of phenylalanine ammonia lyase (pal) from petroselinum… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RGS
- Type
- protein
- Length
- 1,254 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
- K3Z
- Pockets
- 15 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylalanine ammonia-lyase 1 (EC 4.3.1.24) | protein | 628 | 60% helix, 4% strand | P24481 |
| B | Phenylalanine ammonia-lyase 1 (EC 4.3.1.24) | protein | 626 | 61% helix, 4% strand | P24481 |
Ligands and binding sites
- K3Z · (E)-3-(4-methoxyphenyl)acrylic acid · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.82 | 0.96 | 29 | empty |
| 2 | 257 | 0.55 | 0.77 | 34 | empty |
| 3 | 269 | 0.53 | 0.75 | 34 | empty |
| 4 | 172 | 0.46 | 0.75 | 23 | empty |
| 5 | 151 | 0.45 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 4299 Ų buried · 62 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 6RGS · Crystal Structure of Phenylalanine Ammonia Lyase (PAL) from Petroselinum crispum bound to… · 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 6RGS · PDBe 6RGS · UniProt P24481
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