Research workbench
Imp complex of the recombinant mouse-muscle adenylosuccinate synthetase
Analyse Imp complex of the recombinant mouse-muscle adenylosuccinate synthetase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1IWE
- Type
- protein
- Length
- 861 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- P28650
- Ligands
- IMP, MG
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 430 | 38% helix, 21% strand | P28650 |
| B | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 431 | 39% helix, 22% strand | P28650 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 3 copies · chains A, B
- MG · Magnesium ion · metal · chains B
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 743 | 0.83 | 0.86 | 96 | empty |
| 2 | 143 | 0.83 | 0.99 | 21 | empty |
| 3 | 160 | 0.80 | 0.96 | 34 | ACT, IMP |
| 4 | 737 | 0.77 | 0.82 | 62 | MG, IMP |
| 5 | 245 | 0.67 | 0.84 | 32 | ACT |
Interfaces
1 interface between chains.
- A–B · 2889 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 1IWE · IMP Complex of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase · the same entry in another collection · chain A against A, TM-score 1.00
- P28650 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase isozyme 1 (P28650) · a predicted model of the same protein · chain B 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 P28650
- Elsewhere: RCSB PDB 1IWE · PDBe 1IWE · UniProt P28650
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