MolNFT v1 · #92125 · protein
Inosine 5'-monophosphate dehydrogenase from vibrio cholerae complexed with imp and mycophenolic acid
4FXS · Inosine-5'-monophosphate dehydrogenase: “Inosine 5'-monophosphate dehydrogenase from vibrio cholerae complexed with imp and mycophenolic acid”. X-ray diffraction, 3 ligands (IMP, MOA, K), 7 pockets (best druggability 0.75). MolNFT…
- PDB
- 4FXS
- Type
- protein
- Length
- 467 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
- Q9KTW3
- Ligands
- IMP, MOA, K
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 467 | 32% helix, 21% strand | Q9KTW3 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · chains A
- MOA · Mycophenolic acid · ligand · chains A
- K · Potassium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 421 | 0.75 | 0.85 | 40 | IMP, MOA |
| 2 | 252 | 0.53 | 0.76 | 24 | empty |
| 3 | 133 | 0.43 | 0.76 | 18 | empty |
| 4 | 86 | 0.39 | 0.77 | 15 | empty |
| 5 | 81 | 0.35 | 0.75 | 13 | empty |
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 4FXS · Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae complexed with IMP and… · 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 4FXS · PDBe 4FXS · UniProt Q9KTW3
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