MolNFT v1 · #104860 · protein
Inosine 5'-monophosphate dehydrogenase from vibrio cholerae, deletion mutant, in complex with NAD and imp
4QNE: “Inosine 5'-monophosphate dehydrogenase from vibrio cholerae, deletion mutant, in complex with NAD and imp”. X-ray diffraction, 3 ligands (IMP, NAJ, K), 5 pockets (best druggability 0.75). MolNFT v1 #104860 on GenesisL1: 3D…
- PDB
- 4QNE
- Type
- protein
- Length
- 684 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, NAJ, K
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inosine 5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 342 | 35% helix, 20% strand | Q9KTW3 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 2 copies · chains A, B
- NAJ · Nicotinamide-adenine-dinucleotide (acidic form) · 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 | 399 | 0.75 | 0.85 | 44 | IMP, NAJ |
| 2 | 384 | 0.74 | 0.85 | 46 | IMP, NAJ |
| 3 | 800 | 0.70 | 0.76 | 68 | empty |
| 4 | 224 | 0.53 | 0.77 | 23 | empty |
| 5 | 217 | 0.50 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 660 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4QNE · Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex… · 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 4QNE · PDBe 4QNE · UniProt Q9KTW3
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