MolNFT v1 · #105528 · protein
Crystal structure of inosine 5'-monophosphate dehydrogenase with the internal deletion containing cbs domain from campylobacter jejuni
4R7J · Inosine-5'-monophosphate dehydrogenase: “Crystal structure of inosine 5'-monophosphate dehydrogenase with the internal deletion containing cbs domain…”. X-ray diffraction, 4 ligands (IMP, K, SO4), 6 pockets (best druggability 0.75).…
- PDB
- 4R7J
- Type
- protein
- Length
- 357 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine-5'-monophosphate dehydrogenase
- EC
- 1.1.1.205
- UniProt
- Q0P9J4
- Ligands
- IMP, K, SO4, CL
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 357 | 36% helix, 18% strand | Q0P9J4 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · chains A
- K · Potassium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 394 | 0.75 | 0.85 | 37 | IMP |
| 2 | 280 | 0.57 | 0.77 | 26 | empty |
| 3 | 128 | 0.47 | 0.78 | 20 | empty |
| 4 | 80 | 0.37 | 0.76 | 15 | empty |
| 5 | 74 | 0.30 | 0.74 | 18 | empty |
Compared structures
- 4R7J · Crystal Structure of Inosine 5'-monophosphate Dehydrogenase with the Internal Deletion… · 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 Q0P9J4
- Elsewhere: RCSB PDB 4R7J · PDBe 4R7J · UniProt Q0P9J4
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