Research workbench
Crystal structure of phosphoribosylaminoimidazole-succinocarboxamide synthase from clostridium perfringens
Analyse Crystal structure of phosphoribosylaminoimidazole-succinocarboxamide synthase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NUA
- Type
- protein
- Length
- 473 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
- Q0TTB4
- Ligands
- ADP, AMP
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoribosylaminoimidazole-succinocarboxamide synthase (EC 6.3.2.6) | protein | 236 | 31% helix, 36% strand | Q0TTB4 |
| B | Phosphoribosylaminoimidazole-succinocarboxamide synthase (EC 6.3.2.6) | protein | 237 | 30% helix, 36% strand | Q0TTB4 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B
- AMP · Adenosine monophosphate · ligand · chains A
- CIT · Citric acid · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
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 | 689 | 0.77 | 0.82 | 57 | ADP, CIT |
| 2 | 686 | 0.77 | 0.82 | 57 | ADP, AMP, CIT, GOL |
| 3 | 97 | 0.50 | 0.82 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1160 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3NUA · Crystal Structure of Phosphoribosylaminoimidazole-Succinocarboxamide Synthase from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q0TTB4 · 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 Q0TTB4
- Elsewhere: RCSB PDB 3NUA · PDBe 3NUA · UniProt Q0TTB4
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