Research workbench
Structure of the ptp-like myo-inositol phosphatase from mitsuokella multacida in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Analyse Structure of the ptp-like myo-inositol phosphatase from mitsuokella multacida… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WU3
- Type
- protein
- Length
- 2,360 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol phosphohydrolase
- EC
- 3.1.3.8
- UniProt
- A3QMF6
- Ligands
- 4IP, PO4
- Pockets
- 18 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Myo-inositol phosphohydrolase (EC 3.1.3.8) | protein | 590 | 36% helix, 20% strand | A3QMF6 |
Ligands and binding sites
- 4IP · Inositol-(1,3,4,5)-tetrakisphosphate · ligand · 6 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D
- GOL · Glycerol · additive · 12 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 882 | 0.88 | 0.90 | 97 | GOL |
| 2 | 857 | 0.87 | 0.89 | 99 | GOL |
| 3 | 297 | 0.59 | 0.78 | 47 | 4IP, PO4 |
| 4 | 263 | 0.58 | 0.78 | 40 | 4IP, PO4 |
| 5 | 239 | 0.57 | 0.79 | 35 | PO4 |
Interfaces
2 interfaces between chains.
- C–D · 2093 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 2086 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4WU3 · Structure of the PTP-like myo-inositol phosphatase from Mitsuokella multacida in complex… · 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 A3QMF6
- Elsewhere: RCSB PDB 4WU3 · PDBe 4WU3 · UniProt A3QMF6
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