MolNFT v1 · #24365 · protein
ATP phosphoribosyl transferase (HISG:HISZ) complex from thermotoga maritima
1USY · ATP phosphoribosyltransferase regulatory subunit: “ATP phosphoribosyl transferase (HISG:HISZ) complex from thermotoga maritima”. X-ray diffraction, 2 ligands (HIS, PO4), 20 pockets (best druggability 0.80). MolNFT v1 #24365 on…
- PDB
- 1USY
- Type
- protein
- Length
- 1,905 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP phosphoribosyltransferase regulatory subunit; ATP phosphoribosyltransferase
- EC
- 2.4.2.17
- UniProt
- Q9X0D3, Q9X0D2
- Ligands
- HIS, PO4
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 7 distinct chains · 34% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | ATP phosphoribosyltransferase regulatory subunit | protein | 275 | 39% helix, 29% strand | Q9X0D3 |
| C | ATP phosphoribosyltransferase regulatory subunit | protein | 274 | 35% helix, 27% strand | Q9X0D3 |
| D | ATP phosphoribosyltransferase regulatory subunit | protein | 274 | 38% helix, 27% strand | Q9X0D3 |
| E | ATP phosphoribosyltransferase (EC 2.4.2.17) | protein | 201 | 32% helix, 36% strand | Q9X0D2 |
| F | ATP phosphoribosyltransferase (EC 2.4.2.17) | protein | 202 | 32% helix, 32% strand | Q9X0D2 |
| G | ATP phosphoribosyltransferase (EC 2.4.2.17) | protein | 203 | 29% helix, 34% strand | Q9X0D2 |
| H | ATP phosphoribosyltransferase (EC 2.4.2.17) | protein | 201 | 30% helix, 37% strand | Q9X0D2 |
Ligands and binding sites
- HIS · Histidine · ligand · 8 copies · chains C, G, D, F, B, E, A, H
- PO4 · Phosphate ion · ion · 6 copies · chains E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 945 | 0.80 | 0.81 | 130 | PO4 |
| 2 | 773 | 0.76 | 0.80 | 104 | PO4 |
| 3 | 295 | 0.68 | 0.83 | 36 | empty |
| 4 | 327 | 0.67 | 0.82 | 46 | empty |
| 5 | 456 | 0.67 | 0.79 | 52 | empty |
Interfaces
20 interfaces between chains.
- A–B · 2128 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1971 Ų buried · 15 hydrogen bonds · protein-protein
- G–H · 1347 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 1223 Ų buried · 4 hydrogen bonds · protein-protein
- D–F · 973 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 covalent (disulfide, covalent ligand).
Compared structures
- 1USY · ATP phosphoribosyl transferase (HisG:HisZ) complex from Thermotoga maritima · the same entry in another collection · chain G against G, TM-score 1.00
- Q9X0D3 · AlphaFold monomer V2.0 prediction for ATP phosphoribosyltransferase regulatory subunit… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9X0D3
- Every structure of UniProt Q9X0D2
- Elsewhere: RCSB PDB 1USY · PDBe 1USY · UniProt Q9X0D3 · UniProt Q9X0D2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.