MolNFT v1 · #12390 · protein
Crystal structure of ALPHAT183V mutant of tryptophan synthase from salmonella typhimurium with L-ser bound to the beta site
1KFE · Tryptophan synthase alpha chain: “Crystal structure of ALPHAT183V mutant of tryptophan synthase from salmonella typhimurium with L-ser bound to…”. X-ray diffraction, 2 ligands (PLS, NA), 7 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 1KFE
- Type
- protein
- Length
- 646 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan synthase alpha chain; Tryptophan synthase beta chain
- UniProt
- P00929, P0A2K1
- Ligands
- PLS, NA
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase alpha chain | protein | 252 | 52% helix, 14% strand | P00929 |
| B | Tryptophan synthase beta chain | protein | 394 | 48% helix, 22% strand | P0A2K1 |
Ligands and binding sites
- PLS · [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine · ligand · chains B
- NA · Sodium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.78 | 0.96 | 34 | PLS |
| 2 | 242 | 0.61 | 0.80 | 31 | empty |
| 3 | 127 | 0.48 | 0.79 | 28 | empty |
| 4 | 93 | 0.40 | 0.77 | 15 | empty |
| 5 | 55 | 0.37 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1320 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 1KFE · 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
- P0A2K1 · AlphaFold monomer V2.0 prediction for tryptophan synthase beta chain (P0A2K1) · a predicted model of the same protein · chain B 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 1KFE · PDBe 1KFE · UniProt P00929 · UniProt P0A2K1
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