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
- 4BAB
- Type
- protein
- Length
- 2,460 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.56
- Source
- TAXUS WALLICHIANA VAR. CHINENSIS
- Molecule
- Phenylalanine aminomutase
- UniProt
- Q68G84
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · resolution 2.56 · 4 distinct chains · 64% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylalanine aminomutase | protein | 611 | 64% helix, 5% strand | Q68G84 |
| B | Phenylalanine aminomutase | protein | 619 | 63% helix, 5% strand | Q68G84 |
| C | Phenylalanine aminomutase | protein | 614 | 65% helix, 5% strand | Q68G84 |
| D | Phenylalanine aminomutase | protein | 616 | 64% helix, 5% strand | Q68G84 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 674 | 0.77 | 0.82 | 84 | empty |
| 2 | 90 | 0.77 | 0.98 | 32 | empty |
| 3 | 85 | 0.75 | 0.97 | 32 | empty |
| 4 | 469 | 0.73 | 0.82 | 69 | empty |
| 5 | 414 | 0.72 | 0.83 | 65 | empty |
Interfaces
6 interfaces between chains.
- C–D · 3519 Ų buried · 51 hydrogen bonds · protein-protein
- A–B · 3489 Ų buried · 51 hydrogen bonds · protein-protein
- A–C · 3481 Ų buried · 50 hydrogen bonds · protein-protein
- B–D · 3479 Ų buried · 47 hydrogen bonds · protein-protein
- B–C · 1266 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4BAB · Redesign of a phenylalanine aminomutase into a beta-phenylalanine ammonia lyase · the same entry in another collection · chain D against D, TM-score 1.00
- Q68G84 · AlphaFold monomer V2.0 prediction for phenylalanine aminomutase (L-beta-phenylalanine… · a predicted model of the same protein · chain D against A, 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 4BAB · PDBe 4BAB · UniProt Q68G84
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