MolNFT v1 · #39044 · protein
Structure of inositol monophosphatase, the putative target of lithium therapy
2HHM: “Structure of inositol monophosphatase, the putative target of lithium therapy”. X-ray diffraction, 2 ligands (GD, SO4), 7 pockets (best druggability 0.78). MolNFT v1 #39044 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2HHM
- Type
- protein
- Length
- 544 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol monophosphatase
- EC
- 3.1.3.25
- UniProt
- P29218
- Ligands
- GD, SO4
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inositol monophosphatase (EC 3.1.3.25) | protein | 272 | 37% helix, 24% strand | P29218 |
Ligands and binding sites
- GD · Gadolinium atom · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 383 | 0.78 | 0.87 | 47 | SO4 |
| 2 | 330 | 0.76 | 0.87 | 44 | SO4 |
| 3 | 244 | 0.53 | 0.76 | 28 | empty |
| 4 | 281 | 0.51 | 0.74 | 34 | empty |
| 5 | 108 | 0.41 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1751 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 2HHM · Structure of inositol monophosphatase, the putative target of lithium therapy · the same entry in another collection · chain A against A, TM-score 1.00
- P29218 · AlphaFold monomer V2.0 prediction for inositol monophosphatase 1 (P29218) · a predicted model of the same protein · 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 P29218
- Elsewhere: RCSB PDB 2HHM · PDBe 2HHM · UniProt P29218
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