MolNFT v1 · #12174 · protein
Crystal structure of ALPHAT183V mutant of tryptophan synthase from salmonella typhimurium
1K8X · Tryptophan synthase, alpha protein: “Crystal structure of ALPHAT183V mutant of tryptophan synthase from salmonella typhimurium”. X-ray diffraction, 2 ligands (PLP, NA), 6 pockets (best druggability 0.73). MolNFT v1 #12174 on…
- PDB
- 1K8X
- Type
- protein
- Length
- 640 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan synthase, alpha protein; Tryptophan synthase, beta protein
- EC
- 4.2.1.20
- UniProt
- P00929, P0A2K1
- Ligands
- PLP, NA
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase, alpha protein (EC 4.2.1.20) | protein | 249 | 51% helix, 14% strand | P00929 |
| B | Tryptophan synthase, beta protein (EC 4.2.1.20) | protein | 391 | 46% helix, 22% strand | P0A2K1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 318 | 0.73 | 0.86 | 60 | PLP |
| 2 | 289 | 0.64 | 0.81 | 37 | empty |
| 3 | 88 | 0.40 | 0.77 | 15 | empty |
| 4 | 67 | 0.37 | 0.78 | 21 | empty |
| 5 | 56 | 0.37 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1341 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1K8X · Crystal Structure Of AlphaT183V Mutant Of Tryptophan Synthase From Salmonella Typhimurium · the same entry in another collection · chain A against A, TM-score 1.00
- P00929 · AlphaFold monomer V2.0 prediction for tryptophan synthase alpha chain (P00929) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00929
- Every structure of UniProt P0A2K1
- Elsewhere: RCSB PDB 1K8X · PDBe 1K8X · UniProt P00929 · UniProt P0A2K1
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