MolNFT v1 · #64878 · protein
Human hypoxanthine-guanine phosphoribosyltransferase in complex with 9-(2-PHOSPHONOETHOXYETHYL)HYPOXANTHINE
3GGC: “Human hypoxanthine-guanine phosphoribosyltransferase in complex with 9-(2-PHOSPHONOETHOXYETHYL)HYPOXANTHINE”. X-ray diffraction, 1 ligand (H26), 6 pockets (best druggability 0.64). MolNFT v1 #64878 on GenesisL1: 3D structure…
- PDB
- 3GGC
- Type
- protein
- Length
- 425 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine-guanine phosphoribosyltransferase
- EC
- 2.4.2.8
- UniProt
- P00492
- Ligands
- H26
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 212 | 29% helix, 27% strand | P00492 |
| B | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 213 | 26% helix, 30% strand | P00492 |
Ligands and binding sites
- H26 · {2-[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid · ligand · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 439 | 0.64 | 0.78 | 36 | H26 |
| 2 | 334 | 0.62 | 0.78 | 34 | H26 |
| 3 | 268 | 0.58 | 0.78 | 33 | empty |
| 4 | 55 | 0.50 | 0.86 | 19 | empty |
| 5 | 61 | 0.47 | 0.84 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 835 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3GGC · Human hypoxanthine-guanine phosphoribosyltransferase in complex with… · 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 0.94
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 P00492
- Elsewhere: RCSB PDB 3GGC · PDBe 3GGC · UniProt P00492
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