MolNFT v1 · #23375 · protein
Structure of the thiazole SYNTHASE/THIS complex
1TYG · Yjbs: “Structure of the thiazole SYNTHASE/THIS complex”. X-ray diffraction, 1 ligand (PO4), 8 pockets (best druggability 0.67). MolNFT v1 #23375 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TYG
- Type
- protein
- Length
- 608 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Yjbs; Thiazole biosynthesis protein thig
- UniProt
- O31617, O31618
- Ligands
- PO4
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Yjbs | protein | 65 | 15% helix, 34% strand | O31617 |
| A | Thiazole biosynthesis protein thig | protein | 242 | 39% helix, 17% strand | O31618 |
| C | Thiazole biosynthesis protein thig | protein | 237 | 38% helix, 16% strand | O31618 |
| G | Yjbs | protein | 64 | 14% helix, 27% strand | O31617 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 420 | 0.67 | 0.79 | 57 | PO4 |
| 2 | 178 | 0.61 | 0.83 | 34 | PO4 |
| 3 | 165 | 0.57 | 0.81 | 30 | empty |
| 4 | 80 | 0.38 | 0.77 | 16 | empty |
| 5 | 70 | 0.37 | 0.78 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1759 Ų buried · 18 hydrogen bonds · protein-protein
- B–A · 1238 Ų buried · 18 hydrogen bonds · protein-protein
- C–G · 542 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1TYG · Structure of the thiazole synthase/ThiS complex · the same entry in another collection · chain G against G, TM-score 1.00
- O31618 · AlphaFold monomer V2.0 prediction for thiazole synthase (O31618) · a predicted model of the same protein · chain C against A, TM-score 0.96
- O31617 · AlphaFold monomer V2.0 prediction for sulfur carrier protein this (O31617) · a predicted model of the same protein · chain B against A, TM-score 0.91
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 O31617
- Every structure of UniProt O31618
- Elsewhere: RCSB PDB 1TYG · PDBe 1TYG · UniProt O31617 · UniProt O31618
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