MolNFT v1 · #87591 · protein
Structural investigations into the stereochemistry and activity of a phenylalanine-2,3-aminomutase from taxus chinensis
4C5U · Phenylalanine ammonia-lyase: “Structural investigations into the stereochemistry and activity of a phenylalanine-2,3-aminomutase from taxus…”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #87591 on GenesisL1: 3D…
- PDB
- 4C5U
- Type
- protein
- Length
- 2,552 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
- 20 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 64% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylalanine ammonia-lyase (EC 4.3.1.24) | protein | 641 | 65% helix, 5% strand | Q68G84 |
| B | Phenylalanine ammonia-lyase (EC 4.3.1.24) | protein | 636 | 64% helix, 5% strand | Q68G84 |
| C | Phenylalanine ammonia-lyase (EC 4.3.1.24) | protein | 639 | 64% helix, 5% strand | Q68G84 |
| D | Phenylalanine ammonia-lyase (EC 4.3.1.24) | protein | 636 | 64% helix, 5% strand | Q68G84 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.84 | 0.96 | 42 | empty |
| 2 | 200 | 0.83 | 0.96 | 45 | empty |
| 3 | 935 | 0.82 | 0.84 | 114 | empty |
| 4 | 1119 | 0.82 | 0.83 | 117 | empty |
| 5 | 894 | 0.75 | 0.79 | 82 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3930 Ų buried · 56 hydrogen bonds · protein-protein
- C–D · 3886 Ų buried · 56 hydrogen bonds · protein-protein
- A–C · 3759 Ų buried · 46 hydrogen bonds · protein-protein
- B–D · 3717 Ų buried · 50 hydrogen bonds · protein-protein
- A–D · 1177 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4C5U · Structural Investigations into the Stereochemistry and Activity of a… · 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 B 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 4C5U · PDBe 4C5U · UniProt Q68G84
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