MolNFT v1 · #12387 · protein
Crystal structure of ALPHAT183V mutant of tryptophan synthase from salmonella typhimurium with indole glycerol phosphate
1KFB · Tryptophan synthase alpha chain: “Crystal structure of ALPHAT183V mutant of tryptophan synthase from salmonella typhimurium with indole…”. X-ray diffraction, 2 ligands (IGP, PLP), 4 pockets (best druggability 0.81). MolNFT v1 #12387…
- PDB
- 1KFB
- Type
- protein
- Length
- 649 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
- IGP, PLP
- Pockets
- 4 · best druggability 0.81
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 | 255 | 53% helix, 15% strand | P00929 |
| B | Tryptophan synthase beta chain | protein | 394 | 48% helix, 21% strand | P0A2K1 |
Ligands and binding sites
- IGP · Indole-3-glycerol phosphate · ligand · chains A
- PLP · Pyridoxal-5'-phosphate · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.81 | 0.84 | 82 | PLP |
| 2 | 380 | 0.71 | 0.83 | 44 | IGP |
| 3 | 79 | 0.39 | 0.77 | 14 | empty |
| 4 | 72 | 0.36 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1402 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 1KFB · 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 1KFB · PDBe 1KFB · UniProt P00929 · UniProt P0A2K1
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