MolNFT v1 · #19429 · protein
Toxoplasma gondii hypoxanthine-guanine phosphoribosyltransferase imp complex
1QK4: “Toxoplasma gondii hypoxanthine-guanine phosphoribosyltransferase imp complex”. X-ray diffraction, 1 ligand (IMP), 15 pockets (best druggability 0.84). MolNFT v1 #19429 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QK4
- Type
- protein
- Length
- 880 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine-guanine phosphoribosyltransferase
- EC
- 2.4.2.8
- UniProt
- Q26997
- Ligands
- IMP
- Pockets
- 15 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 224 | 28% helix, 30% strand | Q26997 |
| C | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 213 | 31% helix, 27% strand | Q26997 |
| D | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 219 | 30% helix, 27% strand | Q26997 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1123 | 0.84 | 0.85 | 118 | empty |
| 2 | 708 | 0.72 | 0.78 | 71 | IMP |
| 3 | 400 | 0.68 | 0.81 | 31 | IMP |
| 4 | 375 | 0.68 | 0.81 | 33 | IMP |
| 5 | 126 | 0.63 | 0.86 | 32 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1502 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1347 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 907 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 902 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 446 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1QK4 · Toxoplasma gondii hypoxanthine-guanine phosphoribosyltransferase imp complex · 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 0.97
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 1QK4 · PDBe 1QK4 · UniProt Q26997
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.