Research workbench
Toxoplasma gondii hypoxanthine-guanine phosphoribosyltransferase complexed with 9-deazaguanine, alpha-D-5-phosphoribosyl-1- pyrophosphate (prpp) and two MG2+ ions
Analyse Toxoplasma gondii hypoxanthine-guanine phosphoribosyltransferase complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FSG
- Type
- protein
- Length
- 466 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine-guanine phosphoribosyltransferase
- EC
- 2.4.2.8
- UniProt
- Q26997
- Ligands
- PRP, 9DG, MG
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 233 | 29% helix, 30% strand | Q26997 |
Ligands and binding sites
- PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · 2 copies · chains A, C
- 9DG · 9-deazaguanine · ligand · 2 copies · chains A, C
- MG · Magnesium ion · metal · 4 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.82 | 0.95 | 35 | MG, PRP, 9DG |
| 2 | 237 | 0.81 | 0.94 | 35 | MG, PRP, 9DG |
| 3 | 261 | 0.53 | 0.76 | 47 | empty |
| 4 | 120 | 0.44 | 0.77 | 23 | empty |
| 5 | 68 | 0.36 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–C · 919 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1FSG · Toxoplasma gondii hypoxanthine-guanine phosphoribosyltransferase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q26997 · AlphaFold monomer V2.0 prediction for hypoxanthine-guanine-xanthine… · a predicted model of the same protein · chain A against A, TM-score 0.93
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 Q26997
- Elsewhere: RCSB PDB 1FSG · PDBe 1FSG · UniProt Q26997
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