Research workbench
Structure of the covalent intermediate E-xmp* of the imp dehydrogenase of ashbya gossypii
Analyse Structure of the covalent intermediate E-xmp* of the imp dehydrogenase of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XTD
- Type
- protein
- Length
- 760 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
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 39% 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 | 377 | 40% helix, 18% strand | Q756Z6 |
| B | Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase (EC 1.1.1.205) | protein | 383 | 38% helix, 18% strand | Q756Z6 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 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 | 1038 | 0.73 | 0.77 | 82 | empty |
| 2 | 342 | 0.72 | 0.85 | 40 | IMP |
| 3 | 377 | 0.71 | 0.83 | 43 | IMP |
| 4 | 53 | 0.28 | 0.74 | 11 | empty |
| 5 | 67 | 0.27 | 0.72 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 162 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4XTD · Structure of the covalent intermediate E-XMP* of the IMP dehydrogenase of Ashbya gossypii · 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 4XTD · PDBe 4XTD · UniProt Q756Z6
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