MolNFT v1 · #50075 · protein
Crystal structure of faicar synthetase (purp) from M. jannaschii complexed with ATP and aicar
2R7L · 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl…: “Crystal structure of faicar synthetase (purp) from M. jannaschii complexed with ATP and aicar”. X-ray diffraction, 4 ligands (ATP, AMZ, CL), 1 pocket (best druggability…
- PDB
- 2R7L
- Type
- protein
- Length
- 355 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase
- EC
- 6.3.4.-
- UniProt
- Q57600
- Ligands
- ATP, AMZ, CL, SO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase (EC 6.3.4.-) | protein | 355 | 41% helix, 23% strand | Q57600 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- AMZ · Aminoimidazole 4-carboxamide ribonucleotide · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- SO4 · Sulfate ion · ion · 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 | 472 | 0.66 | 0.78 | 46 | CL, ATP, AMZ |
Compared structures
- 2R7L · Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with ATP and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q57600 · AlphaFold monomer V2.0 prediction for 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofu… · 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 Q57600
- Elsewhere: RCSB PDB 2R7L · PDBe 2R7L · UniProt Q57600
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