Research workbench
Structural investigations into the stereochemistry and activity of a phenylalanine-2,3-aminomutase from taxus chinensis
Analyse Structural investigations into the stereochemistry and activity of a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C6G
- Type
- protein
- Length
- 2,501 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylalanine ammonia-lyase
- EC
- 5.4.3.-, 4.3.1.24
- UniProt
- Q68G84
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 64% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylalanine ammonia-lyase (EC 5.4.3.-, 4.3.1.24) | protein | 624 | 65% helix, 5% strand | Q68G84 |
| B | Phenylalanine ammonia-lyase (EC 5.4.3.-, 4.3.1.24) | protein | 626 | 63% helix, 5% strand | Q68G84 |
| C | Phenylalanine ammonia-lyase (EC 5.4.3.-, 4.3.1.24) | protein | 625 | 64% helix, 5% strand | Q68G84 |
| D | Phenylalanine ammonia-lyase (EC 5.4.3.-, 4.3.1.24) | protein | 626 | 65% helix, 5% strand | Q68G84 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 758 | 0.77 | 0.81 | 64 | empty |
| 2 | 539 | 0.77 | 0.84 | 48 | empty |
| 3 | 633 | 0.76 | 0.82 | 61 | empty |
| 4 | 65 | 0.72 | 0.98 | 19 | empty |
| 5 | 65 | 0.71 | 0.97 | 30 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3660 Ų buried · 48 hydrogen bonds · protein-protein
- C–D · 3609 Ų buried · 54 hydrogen bonds · protein-protein
- B–D · 3467 Ų buried · 52 hydrogen bonds · protein-protein
- A–C · 3432 Ų buried · 48 hydrogen bonds · protein-protein
- A–D · 1250 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4C6G · 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 4C6G · PDBe 4C6G · UniProt Q68G84
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