MolNFT v1 · #136339 · protein
Crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from mycobacterium tuberculosis in the presence of TBK6
5UPU · Inosine-5'-monophosphate dehydrogenase: “Crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from mycobacterium…”. X-ray diffraction, 2 ligands (IMP, 6Q9), 2 pockets (best druggability 0.72). MolNFT…
- PDB
- 5UPU
- Type
- protein
- Length
- 332 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
- P9WKI7
- Ligands
- IMP, 6Q9
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 332 | 36% helix, 19% strand | P9WKI7 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · chains A
- 6Q9 · ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 410 | 0.72 | 0.83 | 46 | IMP, 6Q9 |
| 2 | 63 | 0.31 | 0.75 | 17 | empty |
Compared structures
- 5UPU · Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WKI7 · AlphaFold monomer V2.0 prediction for inosine-5'-monophosphate dehydrogenase (P9WKI7) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P9WKI7
- Elsewhere: RCSB PDB 5UPU · PDBe 5UPU · UniProt P9WKI7
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