Research workbench
The crystal structure of tryptophan synthase subunit beta from bacillus anthracis str. 'ames ancestor'
Analyse The crystal structure of tryptophan synthase subunit beta from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NEG
- Type
- protein
- Length
- 636 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan synthase beta chain
- EC
- 4.2.1.20
- UniProt
- Q81TL8
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase beta chain (EC 4.2.1.20) | protein | 322 | 54% helix, 18% strand | Q81TL8 |
| B | Tryptophan synthase beta chain (EC 4.2.1.20) | protein | 314 | 51% helix, 18% strand | Q81TL8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- FMT · Formic acid · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 628 | 0.76 | 0.82 | 72 | SO4, GOL |
| 2 | 587 | 0.71 | 0.80 | 81 | SO4 |
| 3 | 279 | 0.55 | 0.76 | 46 | empty |
| 4 | 53 | 0.28 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1797 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 modified (engineered).
Compared structures
- 4NEG · The crystal structure of tryptophan synthase subunit beta from Bacillus anthracis str.… · the same entry in another collection · chain A against A, TM-score 1.00
- Q81TL8 · AlphaFold monomer V2.0 prediction for tryptophan synthase beta chain (Q81TL8) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q81TL8
- Elsewhere: RCSB PDB 4NEG · PDBe 4NEG · UniProt Q81TL8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.