MolNFT v1 · #118137 · protein
Crystal structure of hypoxanthine-guanine phosphoribosyltransferase complexed with gmp from legionella pneumophila
5ESX · PURINE/PYRIMIDINE phosphoribosyltransferase: “Crystal structure of hypoxanthine-guanine phosphoribosyltransferase complexed with gmp from legionella…”. X-ray diffraction, 1 ligand (5GP), 4 pockets (best druggability 0.64). MolNFT v1…
- PDB
- 5ESX
- Type
- protein
- Length
- 373 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PURINE/PYRIMIDINE phosphoribosyltransferase
- UniProt
- G8UY25
- Ligands
- 5GP
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PURINE/PYRIMIDINE phosphoribosyltransferase | protein | 187 | 28% helix, 32% strand | G8UY25 |
| B | PURINE/PYRIMIDINE phosphoribosyltransferase | protein | 186 | 31% helix, 31% strand | G8UY25 |
Ligands and binding sites
- 5GP · Guanosine-5'-monophosphate · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.64 | 0.77 | 41 | 5GP |
| 2 | 382 | 0.63 | 0.78 | 30 | 5GP |
| 3 | 55 | 0.42 | 0.82 | 14 | empty |
| 4 | 87 | 0.37 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1462 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5ESX · Crystal structure of hypoxanthine-guanine phosphoribosyltransferase complexed with GMP… · 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 G8UY25
- Elsewhere: RCSB PDB 5ESX · PDBe 5ESX · UniProt G8UY25
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