MolNFT v1 · #91462 · protein
X-ray structure of saicar synthetase (purc) from streptococcus pneumoniae complexed with air, ADP, asp and MG2+
4FE2 · Phosphoribosylaminoimidazole-succinocarboxamide synthase: “X-ray structure of saicar synthetase (purc) from streptococcus pneumoniae complexed with air, ADP, asp and…”. X-ray diffraction, 5 ligands (AIR, ADP, ASP), 3 pockets (best…
- PDB
- 4FE2
- Type
- protein
- Length
- 468 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoribosylaminoimidazole-succinocarboxamide synthase
- EC
- 6.3.2.6
- UniProt
- Q07296
- Ligands
- AIR, ADP, ASP, MG, CL
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoribosylaminoimidazole-succinocarboxamide synthase (EC 6.3.2.6) | protein | 233 | 33% helix, 32% strand | Q07296 |
| B | Phosphoribosylaminoimidazole-succinocarboxamide synthase (EC 6.3.2.6) | protein | 235 | 31% helix, 31% strand | Q07296 |
Ligands and binding sites
- AIR · 5-aminoimidazole ribonucleotide · ligand · 2 copies · chains A, B
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- ASP · Aspartic acid · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · 4 copies · chains A, B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 826 | 0.77 | 0.81 | 57 | AIR, ADP, MG, CL, ASP |
| 2 | 809 | 0.76 | 0.80 | 51 | AIR, ADP, MG |
| 3 | 109 | 0.45 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 936 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4FE2 · X-Ray Structure of SAICAR Synthetase (PurC) from Streptococcus pneumoniae complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q07296 · AlphaFold monomer V2.0 prediction for phosphoribosylaminoimidazole- succinocarboxamide… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q07296
- Elsewhere: RCSB PDB 4FE2 · PDBe 4FE2 · UniProt Q07296
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