Research workbench
Structure of imp dehydrogenase of ashbya gossypii with imp bound to the active site
Analyse Structure of imp dehydrogenase of ashbya gossypii with imp bound to the active… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XTI
- Type
- protein
- Length
- 746 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase
- EC
- 1.1.1.205
- UniProt
- Q756Z6
- Ligands
- IMP, K
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase (EC 1.1.1.205) | protein | 373 | 39% helix, 18% strand | Q756Z6 |
| B | Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase (EC 1.1.1.205) | protein | 373 | 38% helix, 18% strand | Q756Z6 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.72 | 0.85 | 39 | IMP |
| 2 | 348 | 0.72 | 0.84 | 41 | IMP |
| 3 | 906 | 0.71 | 0.76 | 70 | empty |
| 4 | 58 | 0.29 | 0.74 | 13 | empty |
| 5 | 63 | 0.27 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 133 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4XTI · Structure of IMP dehydrogenase of Ashbya gossypii with IMP bound to the active site · the same entry in another collection · chain A against A, TM-score 1.00
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 Q756Z6
- Elsewhere: RCSB PDB 4XTI · PDBe 4XTI · UniProt Q756Z6
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