MolNFT v1 · #149213 · protein
ATP phosphoribosyltransferase (hiszg atpprt) from psychrobacter arcticus in complex with prpp
6FTT · ATP phosphoribosyltransferase regulatory subunit: “ATP phosphoribosyltransferase (hiszg atpprt) from psychrobacter arcticus in complex with prpp”. X-ray diffraction, 3 ligands (PRP, MG, CL), 20 pockets (best druggability 0.87).…
- PDB
- 6FTT
- Type
- protein
- Length
- 2,346 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
- Q4FTX3, Q4FQF7
- Ligands
- PRP, MG, CL
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, B | ATP phosphoribosyltransferase regulatory subunit | protein | 379 | 42% helix, 22% strand | Q4FTX3 |
| D | ATP phosphoribosyltransferase regulatory subunit | protein | 378 | 42% helix, 22% strand | Q4FTX3 |
| E | ATP phosphoribosyltransferase (EC 2.4.2.17) | protein | 207 | 32% helix, 33% strand | Q4FQF7 |
| H, G, F | ATP phosphoribosyltransferase (EC 2.4.2.17) | protein | 208 | 34% helix, 33% strand | Q4FQF7 |
Ligands and binding sites
- PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · 4 copies · chains E, H, G, F
- MG · Magnesium ion · metal · 4 copies · chains A, C, B, D
- CL · Chloride ion · ion · 12 copies · chains A, C, B, D, E, H, G, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 993 | 0.87 | 0.88 | 145 | MG, CL |
| 2 | 879 | 0.87 | 0.89 | 138 | MG, CL |
| 3 | 775 | 0.82 | 0.85 | 88 | MG, CL |
| 4 | 790 | 0.80 | 0.83 | 62 | empty |
| 5 | 526 | 0.80 | 0.86 | 55 | MG, CL |
Interfaces
20 interfaces between chains.
- A–B · 3254 Ų buried · 41 hydrogen bonds · protein-protein
- C–D · 3237 Ų buried · 38 hydrogen bonds · protein-protein
- H–G · 1275 Ų buried · 7 hydrogen bonds · protein-protein
- E–F · 1245 Ų buried · 10 hydrogen bonds · protein-protein
- D–E · 946 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6FTT · ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with… · the same entry in another collection · chain F against F, TM-score 1.00
- Q4FQF7 · AlphaFold monomer V2.0 prediction for ATP phosphoribosyltransferase (Q4FQF7) · a predicted model of the same protein · chain H against A, TM-score 0.99
- Q4FTX3 · AlphaFold monomer V2.0 prediction for ATP phosphoribosyltransferase regulatory subunit… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q4FTX3
- Every structure of UniProt Q4FQF7
- Elsewhere: RCSB PDB 6FTT · PDBe 6FTT · UniProt Q4FTX3 · UniProt Q4FQF7
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