MolNFT v1 · #74529 · protein
Crystal structure of plasmodium falciparum hypoxanthine-guanine- xanthine phosphoribosyltransferase in complex with hypoxanthine
3OZF · Hypoxanthine-guanine-xanthine phosphoribosyltransferase: “Crystal structure of plasmodium falciparum hypoxanthine-guanine- xanthine phosphoribosyltransferase in…”. X-ray diffraction, 4 ligands (HPA, POP, MG), 19 pockets (best…
- PDB
- 3OZF
- Type
- protein
- Length
- 923 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine-guanine-xanthine phosphoribosyltransferase
- EC
- 2.4.2.-
- UniProt
- P20035
- Ligands
- HPA, POP, MG, PO4
- Pockets
- 19 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine-guanine-xanthine phosphoribosyltransferase (EC 2.4.2.-) | protein | 233 | 30% helix, 32% strand | P20035 |
| B | Hypoxanthine-guanine-xanthine phosphoribosyltransferase (EC 2.4.2.-) | protein | 234 | 29% helix, 33% strand | P20035 |
| C, D | Hypoxanthine-guanine-xanthine phosphoribosyltransferase (EC 2.4.2.-) | protein | 228 | 29% helix, 33% strand | P20035 |
Ligands and binding sites
- HPA · Hypoxanthine · ligand · 4 copies · chains A, B, C, D
- POP · Pyrophosphate 2- · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 6 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 502 | 0.84 | 0.90 | 88 | empty |
| 2 | 208 | 0.80 | 0.94 | 35 | HPA, POP, PO4, MG |
| 3 | 218 | 0.80 | 0.94 | 35 | HPA, POP, PO4, MG |
| 4 | 199 | 0.79 | 0.94 | 33 | PO4, MG, HPA, POP |
| 5 | 212 | 0.79 | 0.93 | 34 | HPA, POP, PO4, MG |
Interfaces
6 interfaces between chains.
- A–B · 1419 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1368 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 819 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 815 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 231 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3OZF · Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine… · the same entry in another collection · chain A against A, TM-score 1.00
- P20035 · AlphaFold monomer V2.0 prediction for hypoxanthine-guanine-xanthine… · a predicted model of the same protein · chain C 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 P20035
- Elsewhere: RCSB PDB 3OZF · PDBe 3OZF · UniProt P20035
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