MolNFT v1 · #104997 · protein
2.35 ångström resolution crystal structure of hypoxanthine-guanine- xanthine phosphoribosyltransferase from leptospira interrogans serovar copenhageni str. fiocruz L1-130
4QRI · Hypoxanthine-guanine-xanthine phosphoribosyltransferase: “2.35 ångström resolution crystal structure of hypoxanthine-guanine- xanthine phosphoribosyltransferase from…”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability…
- PDB
- 4QRI
- Type
- protein
- Length
- 312 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine-guanine-xanthine phosphoribosyltransferase
- EC
- 2.4.2.8
- UniProt
- Q72LV5
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine-guanine-xanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 157 | 25% helix, 37% strand | Q72LV5 |
| B | Hypoxanthine-guanine-xanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 155 | 25% helix, 35% strand | Q72LV5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 239 | 0.60 | 0.80 | 23 | empty |
| 2 | 317 | 0.57 | 0.76 | 32 | SO4 |
| 3 | 231 | 0.49 | 0.74 | 25 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1320 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 4QRI · 2.35 Angstrom resolution crystal structure of hypoxanthine-guanine-xanthine… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q72LV5
- Elsewhere: RCSB PDB 4QRI · PDBe 4QRI · UniProt Q72LV5
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