MolNFT v1 · #62956 · protein
Crystal structure of a myo-inositol dehydrogenase from corynebacterium glutamicum atcc 13032
3EUW: “Crystal structure of a myo-inositol dehydrogenase from corynebacterium glutamicum atcc 13032”. X-ray diffraction, 1 ligand (NA), 7 pockets (best druggability 0.88). MolNFT v1 #62956 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3EUW
- Type
- protein
- Length
- 1,332 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol dehydrogenase
- EC
- 1.1.1.18
- UniProt
- Q8NL86
- Ligands
- NA
- Pockets
- 7 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Myo-inositol dehydrogenase (EC 1.1.1.18) | protein | 333 | 42% helix, 25% strand | Q8NL86 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1188 | 0.88 | 0.89 | 118 | empty |
| 2 | 379 | 0.68 | 0.81 | 35 | empty |
| 3 | 422 | 0.67 | 0.79 | 39 | empty |
| 4 | 403 | 0.66 | 0.79 | 36 | empty |
| 5 | 361 | 0.65 | 0.80 | 41 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1547 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 1542 Ų buried · 39 hydrogen bonds · protein-protein
- A–D · 958 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 941 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 624 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 3EUW · Crystal Structure of a Myo-inositol dehydrogenase from Corynebacterium glutamicum ATCC… · 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 Q8NL86
- Elsewhere: RCSB PDB 3EUW · PDBe 3EUW · UniProt Q8NL86
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