MolNFT v1 · #51700 · protein
Crystal structure of a chimera of plasmodium falciparum and human hypoxanthine-guanine phosphoribosyl transferases
2VFA · Hypoxanthine-guanine-xanthine phosphoribosyltransferase…: “Crystal structure of a chimera of plasmodium falciparum and human hypoxanthine-guanine phosphoribosyl…”. X-ray diffraction, 2 ligands (5GP, SO4), 4 pockets (best…
- PDB
- 2VFA
- Type
- protein
- Length
- 401 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine-guanine-xanthine phosphoribosyltransferase, hypoxanthine-guanine…
- EC
- 2.4.2.-, 2.4.2.8
- UniProt
- P20035, P00492
- Ligands
- 5GP, SO4
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine-guanine-xanthine phosphoribosyltransferase, hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.-, 2.4.2.8) | protein | 196 | 29% helix, 28% strand | P20035, P00492 |
| B | Hypoxanthine-guanine-xanthine phosphoribosyltransferase, hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.-, 2.4.2.8) | protein | 205 | 29% helix, 28% strand | P20035, P00492 |
Ligands and binding sites
- 5GP · Guanosine-5'-monophosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.57 | 0.82 | 32 | empty |
| 2 | 60 | 0.39 | 0.79 | 16 | empty |
| 3 | 86 | 0.38 | 0.76 | 16 | 5GP, SO4 |
| 4 | 86 | 0.38 | 0.76 | 12 | 5GP |
Interfaces
1 interface between chains.
- A–B · 897 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2VFA · Crystal structure of a chimera of Plasmodium falciparum and human hypoxanthine-guanine… · the same entry in another collection · chain A against A, TM-score 1.00
- P00492 · AlphaFold monomer V2.0 prediction for hypoxanthine-guanine phosphoribosyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.93
- P20035 · AlphaFold monomer V2.0 prediction for hypoxanthine-guanine-xanthine… · a predicted model of the same protein · chain A against A, TM-score 0.89
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
- Every structure of UniProt P00492
- Elsewhere: RCSB PDB 2VFA · PDBe 2VFA · UniProt P20035 · UniProt P00492
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