MolNFT v1 · #10934 · protein
Crystal structure of the hprt from salmonella typhimurium
1J7J · Hypoxanthine phosphoribosyltransferase: “Crystal structure of the hprt from salmonella typhimurium”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.61). MolNFT v1 #10934 on GenesisL1: 3D structure, binding sites…
- PDB
- 1J7J
- Type
- protein
- Length
- 327 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine phosphoribosyltransferase
- EC
- 2.4.2.8
- UniProt
- O33799
- Ligands
- MG
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 163 | 26% helix, 31% strand | O33799 |
| B | Hypoxanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 164 | 26% helix, 32% strand | O33799 |
Ligands and binding sites
- MG · Magnesium ion · metal · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.61 | 0.80 | 23 | empty |
| 2 | 64 | 0.57 | 0.89 | 24 | empty |
| 3 | 277 | 0.52 | 0.75 | 28 | MG |
| 4 | 178 | 0.47 | 0.76 | 24 | MG |
Interfaces
1 interface between chains.
- A–B · 1206 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1J7J · Crystal Structure of the HPRT from Salmonella typhimurium · the same entry in another collection · chain A against A, TM-score 1.00
- O33799 · AlphaFold monomer V2.0 prediction for hypoxanthine phosphoribosyltransferase (O33799) · a predicted model of the same protein · chain B 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 O33799
- Elsewhere: RCSB PDB 1J7J · PDBe 1J7J · UniProt O33799
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