Research workbench
Redesign of a phenylalanine aminomutase into a beta-phenylalanine ammonia lyase
Analyse Redesign of a phenylalanine aminomutase into a beta-phenylalanine ammonia lyase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BAA
- Type
- protein
- Length
- 2,540 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylalanine ammonia-lyase
- EC
- 4.3.1.24
- UniProt
- Q68G84
- Pockets
- 19 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 63% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylalanine ammonia-lyase (EC 4.3.1.24) | protein | 636 | 63% helix, 5% strand | Q68G84 |
| B | Phenylalanine ammonia-lyase (EC 4.3.1.24) | protein | 644 | 63% helix, 5% strand | Q68G84 |
| C | Phenylalanine ammonia-lyase (EC 4.3.1.24) | protein | 618 | 64% helix, 5% strand | Q68G84 |
| D | Phenylalanine ammonia-lyase (EC 4.3.1.24) | protein | 642 | 64% helix, 5% strand | Q68G84 |
Pockets
19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.73 | 0.98 | 26 | empty |
| 2 | 58 | 0.71 | 0.98 | 22 | empty |
| 3 | 668 | 0.70 | 0.78 | 71 | empty |
| 4 | 345 | 0.70 | 0.83 | 56 | empty |
| 5 | 437 | 0.70 | 0.81 | 50 | empty |
Interfaces
6 interfaces between chains.
- A–B · 4003 Ų buried · 64 hydrogen bonds · protein-protein
- C–D · 3771 Ų buried · 57 hydrogen bonds · protein-protein
- B–D · 3757 Ų buried · 54 hydrogen bonds · protein-protein
- A–C · 3629 Ų buried · 53 hydrogen bonds · protein-protein
- B–C · 1268 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- Q68G84 · AlphaFold monomer V2.0 prediction for phenylalanine aminomutase (L-beta-phenylalanine… · a predicted model of the same protein · chain A against A, TM-score 1.00
- 4BAA · Redesign of a Phenylalanine Aminomutase into a beta-Phenylalanine Ammonia Lyase · the same entry in another collection · chain B against B, TM-score 1.00
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 Q68G84
- Elsewhere: RCSB PDB 4BAA · PDBe 4BAA · UniProt Q68G84
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