MolNFT v1 · #72125 · protein
Crystal structure of apo myo-inositol dehydrogenase from bacillus subtilis
3MZ0 · Inositol 2-DEHYDROGENASE/D-chiro-inositol 3-dehydrogenase: “Crystal structure of apo myo-inositol dehydrogenase from bacillus subtilis”. X-ray diffraction, 2 ligands (MG, CL), 3 pockets (best druggability 0.61). MolNFT v1 #72125 on…
- PDB
- 3MZ0
- Type
- protein
- Length
- 337 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol 2-DEHYDROGENASE/D-chiro-inositol 3-dehydrogenase
- EC
- 1.1.1.18
- UniProt
- P26935
- Ligands
- MG, CL
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol 2-DEHYDROGENASE/D-chiro-inositol 3-dehydrogenase (EC 1.1.1.18) | protein | 337 | 39% helix, 23% strand | P26935 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- PGE · Triethylene glycol · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 331 | 0.61 | 0.78 | 34 | GOL |
| 2 | 66 | 0.45 | 0.82 | 19 | empty |
| 3 | 121 | 0.41 | 0.75 | 23 | empty |
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3MZ0 · Crystal structure of apo myo-inositol dehydrogenase from Bacillus subtilis · the same entry in another collection · chain A against A, TM-score 1.00
- P26935 · AlphaFold monomer V2.0 prediction for inositol 2-DEHYDROGENASE/D-chiro-inositol… · 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 P26935
- Elsewhere: RCSB PDB 3MZ0 · PDBe 3MZ0 · UniProt P26935
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