MolNFT v1 · #109150 · protein
Structure of the ptp-like myo-inositol phosphatase from selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
4WTY · Myo-inositol phosphohydrolase: “Structure of the ptp-like myo-inositol phosphatase from selenomonas ruminantium in complex with…”. X-ray diffraction, 2 ligands (4IP, CL), 5 pockets (best druggability 0.61). MolNFT v1 #109150 on…
- PDB
- 4WTY
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol phosphohydrolase
- UniProt
- Q7WUJ1
- Ligands
- 4IP, CL
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Myo-inositol phosphohydrolase | protein | 314 | 40% helix, 18% strand | Q7WUJ1 |
Ligands and binding sites
- 4IP · Inositol-(1,3,4,5)-tetrakisphosphate · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.61 | 0.77 | 28 | empty |
| 2 | 348 | 0.59 | 0.76 | 51 | 4IP, GOL |
| 3 | 333 | 0.58 | 0.77 | 56 | 4IP |
| 4 | 170 | 0.52 | 0.79 | 32 | empty |
| 5 | 157 | 0.51 | 0.79 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 689 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4WTY · Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in… · the same entry in another collection · 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 Q7WUJ1
- Elsewhere: RCSB PDB 4WTY · PDBe 4WTY · UniProt Q7WUJ1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.