MolNFT v1 · #106140 · protein
Crystal structure of a hypoxanthine phosphoribosyltransferase (target id nysgrc-029686) from staphylococcus aureus (orthorhombic space group)
4RQA: “Crystal structure of a hypoxanthine phosphoribosyltransferase (target id nysgrc-029686) from staphylococcus…”. X-ray diffraction, 2 ligands (NA, CL), 1 pocket (best druggability 0.56). MolNFT v1 #106140 on GenesisL1: 3D structure…
- PDB
- 4RQA
- Type
- protein
- Length
- 176 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine phosphoribosyltransferase
- EC
- 2.4.2.8
- UniProt
- A8YZK8
- Ligands
- NA, CL
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 176 | 28% helix, 34% strand | A8YZK8 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.56 | 0.76 | 30 | ACT, CL |
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 4RQA · Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686)… · 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 A8YZK8
- Elsewhere: RCSB PDB 4RQA · PDBe 4RQA · UniProt A8YZK8
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