Research workbench
Structure of human inositol monophosphatase 1
Analyse Structure of human inositol monophosphatase 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AS4
- Type
- protein
- Length
- 548 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol monophosphatase 1
- EC
- 3.1.3.25
- UniProt
- P29218
- Ligands
- MG, PO4
- Pockets
- 6 · 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 1 (EC 3.1.3.25) | protein | 274 | 37% helix, 24% strand | P29218 |
Ligands and binding sites
- MG · Magnesium ion · metal · 6 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.78 | 0.88 | 45 | PO4, MG, GOL |
| 2 | 326 | 0.77 | 0.88 | 36 | PO4, MG, GOL |
| 3 | 398 | 0.58 | 0.75 | 42 | empty |
| 4 | 311 | 0.54 | 0.75 | 36 | empty |
| 5 | 109 | 0.37 | 0.74 | 16 | GOL |
Interfaces
1 interface between chains.
- A–B · 1690 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 4AS4 · PDBe 4AS4 · UniProt P29218
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