MolNFT v1 · #7374 · protein
Thiamin phosphate synthase
1G4S: “Thiamin phosphate synthase”. X-ray diffraction, 3 ligands (TPS, POP, MG), 4 pockets (best druggability 0.77). MolNFT v1 #7374 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1G4S
- Type
- protein
- Length
- 452 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thiamin phosphate synthase
- EC
- 2.5.1.3
- UniProt
- P39594
- Ligands
- TPS, POP, MG
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Thiamin phosphate synthase (EC 2.5.1.3) | protein | 226 | 44% helix, 15% strand | P39594 |
Ligands and binding sites
- TPS · Thiamin phosphate · ligand · 2 copies · chains A, B
- POP · Pyrophosphate 2- · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.77 | 0.88 | 38 | MG, TPS, POP |
| 2 | 343 | 0.76 | 0.87 | 39 | MG, TPS, POP |
| 3 | 418 | 0.68 | 0.80 | 50 | empty |
| 4 | 103 | 0.55 | 0.84 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 817 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
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 P39594
- Elsewhere: RCSB PDB 1G4S · PDBe 1G4S · UniProt P39594
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