MolNFT v1 · #91803 · protein
Inosine 5'-monophosphate dehydrogenase from vibrio cholerae, deletion mutant, complexed with imp and mycophenolic acid
4FO4: “Inosine 5'-monophosphate dehydrogenase from vibrio cholerae, deletion mutant, complexed with imp and…”. X-ray diffraction, 3 ligands (IMP, MOA, K), 5 pockets (best druggability 0.74). MolNFT v1 #91803 on GenesisL1: 3D structure…
- PDB
- 4FO4
- Type
- protein
- Length
- 694 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine 5'-monophosphate dehydrogenase
- EC
- 1.1.1.205
- UniProt
- Q9KTW3
- Ligands
- IMP, MOA, K
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine 5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 348 | 36% helix, 20% strand | Q9KTW3 |
| B | Inosine 5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 346 | 36% helix, 20% strand | Q9KTW3 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 2 copies · chains A, B
- MOA · Mycophenolic 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.74 | 0.84 | 45 | IMP, MOA |
| 2 | 462 | 0.74 | 0.83 | 47 | IMP, MOA |
| 3 | 611 | 0.68 | 0.77 | 59 | empty |
| 4 | 235 | 0.52 | 0.76 | 23 | empty |
| 5 | 219 | 0.52 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 572 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4FO4 · Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, complexed… · 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 Q9KTW3
- Elsewhere: RCSB PDB 4FO4 · PDBe 4FO4 · UniProt Q9KTW3
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