MolNFT v1 · #62250 · protein
Crystal structure of the Y247S/Y251S mutant of phosphatidylinositol- specific phospholipase C from bacillus thuringiensis
3EA1 · 1-phosphatidylinositol phosphodiesterase: “Crystal structure of the Y247S/Y251S mutant of phosphatidylinositol- specific phospholipase C from bacillus…”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.47). MolNFT…
- PDB
- 3EA1
- Type
- protein
- Length
- 592 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-phosphatidylinositol phosphodiesterase
- EC
- 4.6.1.13
- UniProt
- P08954
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 1-phosphatidylinositol phosphodiesterase (EC 4.6.1.13) | protein | 296 | 32% helix, 20% strand | P08954 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.47 | 0.79 | 24 | empty |
| 2 | 137 | 0.46 | 0.78 | 23 | empty |
| 3 | 112 | 0.33 | 0.72 | 19 | empty |
| 4 | 61 | 0.26 | 0.72 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 52 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3EA1 · Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol-Specific… · the same entry in another collection · chain A against A, TM-score 1.00
- P08954 · AlphaFold monomer V2.0 prediction for 1-phosphatidylinositol phosphodiesterase (P08954) · 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 P08954
- Elsewhere: RCSB PDB 3EA1 · PDBe 3EA1 · UniProt P08954
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