MolNFT v1 · #32213 · protein
High resolution structure of myo-inositol monophosphatase, the target of lithium therapy
2BJI · Inositol-1(OR 4)-monophosphatase: “High resolution structure of myo-inositol monophosphatase, the target of lithium therapy”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.77). MolNFT v1 #32213 on GenesisL1: 3D…
- PDB
- 2BJI
- Type
- protein
- Length
- 548 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol-1(OR 4)-monophosphatase
- EC
- 3.1.3.25
- UniProt
- P20456
- Ligands
- MG
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inositol-1(OR 4)-monophosphatase (EC 3.1.3.25) | protein | 274 | 38% helix, 24% strand | P20456 |
Ligands and binding sites
- MG · Magnesium ion · metal · 6 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.77 | 0.87 | 43 | MG |
| 2 | 343 | 0.75 | 0.87 | 46 | MG |
| 3 | 112 | 0.74 | 0.95 | 20 | empty |
| 4 | 235 | 0.49 | 0.74 | 38 | empty |
| 5 | 144 | 0.43 | 0.75 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1594 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 2BJI · High Resolution Structure of myo-Inositol Monophosphatase, The Target of Lithium Therapy · the same entry in another collection · chain A against A, TM-score 1.00
- P20456 · AlphaFold monomer V2.0 prediction for inositol monophosphatase 1 (P20456) · 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 P20456
- Elsewhere: RCSB PDB 2BJI · PDBe 2BJI · UniProt P20456
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