MolNFT v1 · #151666 · protein
Sulfolobus solfataricus tryptophan synthase ab complex
6HUL · Tryptophan synthase alpha chain: “Sulfolobus solfataricus tryptophan synthase ab complex”. X-ray diffraction, 5 ligands (G3P, SER, PLP), 4 pockets (best druggability 0.80). MolNFT v1 #151666 on GenesisL1: 3D structure, binding sites…
- PDB
- 6HUL
- Type
- protein
- Length
- 657 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan synthase alpha chain; Tryptophan synthase beta chain 1
- EC
- 4.2.1.20
- UniProt
- P50382, P50383
- Ligands
- G3P, SER, PLP, SO4, PO4
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase alpha chain (EC 4.2.1.20) | protein | 241 | 50% helix, 15% strand | P50382 |
| B | Tryptophan synthase beta chain 1 (EC 4.2.1.20) | protein | 416 | 45% helix, 18% strand | P50383 |
Ligands and binding sites
- G3P · Sn-glycerol-3-phosphate · ligand · chains A
- SER · Serine · ligand · chains B
- PLP · Pyridoxal-5'-phosphate · ligand · chains B
- SO4 · Sulfate ion · ion · 3 copies · chains B
- PO4 · Phosphate ion · ion · 3 copies · 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 | 323 | 0.80 | 0.90 | 56 | SER, PLP, SO4 |
| 2 | 99 | 0.70 | 0.92 | 26 | G3P |
| 3 | 101 | 0.38 | 0.75 | 18 | empty |
| 4 | 51 | 0.26 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1277 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 6HUL · Sulfolobus solfataricus Tryptophan Synthase AB Complex · the same entry in another collection · chain A against A, TM-score 1.00
- P50382 · AlphaFold monomer V2.0 prediction for tryptophan synthase alpha chain (P50382) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P50383 · AlphaFold monomer V2.0 prediction for tryptophan synthase beta chain 1 (P50383) · 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 P50382
- Every structure of UniProt P50383
- Elsewhere: RCSB PDB 6HUL · PDBe 6HUL · UniProt P50382 · UniProt P50383
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