MolNFT v1 · #7226 · protein
Crystal structure of MJ0109 gene product inositol monophosphatase-fructose 1,6 bisphosphatase
1G0I: “Crystal structure of MJ0109 gene product inositol monophosphatase-fructose 1,6 bisphosphatase”. X-ray diffraction, 3 ligands (INS, MN, PO4), 4 pockets (best druggability 0.71). MolNFT v1 #7226 on GenesisL1: 3D structure, binding…
- PDB
- 1G0I
- Type
- protein
- Length
- 504 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol monophosphatase
- EC
- 3.1.3.25
- UniProt
- Q57573
- Ligands
- INS, MN, PO4
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inositol monophosphatase (EC 3.1.3.25) | protein | 252 | 30% helix, 26% strand | Q57573 |
Ligands and binding sites
- INS · 1,2,3,4,5,6-hexahydroxy-cyclohexane · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 6 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.71 | 0.81 | 53 | MN, PO4, INS |
| 2 | 487 | 0.69 | 0.79 | 50 | INS, MN, PO4 |
| 3 | 203 | 0.49 | 0.76 | 28 | empty |
| 4 | 164 | 0.46 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1180 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1G0I · Crystal structure of MJ0109 gene product inositol monophosphatase-fructose 1,6… · the same entry in another collection · chain A against A, TM-score 1.00
- Q57573 · AlphaFold monomer V2.0 prediction for fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphata… · 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 Q57573
- Elsewhere: RCSB PDB 1G0I · PDBe 1G0I · UniProt Q57573
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