MolNFT v1 · #165851 · protein
Human IMPDH2 treated with ATP, imp, and NAD+. filament assembly interface reconstruction.
6U8E · Inosine-5'-monophosphate dehydrogenase 2: “Human IMPDH2 treated with ATP, imp, and NAD+. filament assembly interface reconstruction.”. Electron microscopy, 2 ligands (IMP, NAD), 20 pockets (best druggability 0.76). MolNFT v1 #165851…
- PDB
- 6U8E
- Type
- protein
- Length
- 3,000 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine-5'-monophosphate dehydrogenase 2
- EC
- 1.1.1.205
- UniProt
- P12268
- Ligands
- IMP, NAD
- Pockets
- 20 · best druggability 0.76
Structure
electron microscopy · 1 distinct chain · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Inosine-5'-monophosphate dehydrogenase 2 (EC 1.1.1.205) | protein | 375 | 34% helix, 19% strand | P12268 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 8 copies · chains A, D, B, C, E, H, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 673 | 0.76 | 0.82 | 57 | IMP, NAD |
| 2 | 656 | 0.76 | 0.82 | 58 | IMP, NAD |
| 3 | 674 | 0.76 | 0.81 | 60 | IMP, NAD |
| 4 | 634 | 0.75 | 0.82 | 56 | IMP, NAD |
| 5 | 658 | 0.75 | 0.81 | 57 | IMP, NAD |
Interfaces
16 interfaces between chains.
- F–G · 2340 Ų buried · 34 hydrogen bonds · protein-protein
- G–H · 2338 Ų buried · 34 hydrogen bonds · protein-protein
- E–H · 2337 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2336 Ų buried · 34 hydrogen bonds · protein-protein
- B–C · 2336 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 covalent (covalent ligand).
Compared structures
- 6U8E · Human IMPDH2 treated with ATP, IMP, and NAD+. Filament assembly interface reconstruction. · the same entry in another collection · chain H against H, TM-score 1.00
- P12268 · AlphaFold monomer V2.0 prediction for inosine-5'-monophosphate dehydrogenase 2 (P12268) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P12268
- Elsewhere: RCSB PDB 6U8E · PDBe 6U8E · UniProt P12268
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