MolNFT v1 · #91454 · protein
Crystal structure of a multiple inositol polyphosphate phosphatase
4FDT · Putative multiple inositol polyphosphate histidine…: “Crystal structure of a multiple inositol polyphosphate phosphatase”. X-ray diffraction, 1 ligand (PO4), 7 pockets (best druggability 0.79). MolNFT v1 #91454 on GenesisL1: 3D…
- PDB
- 4FDT
- Type
- protein
- Length
- 794 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative multiple inositol polyphosphate histidine phosphatase 1
- UniProt
- Q89YI8
- Ligands
- PO4
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative multiple inositol polyphosphate histidine phosphatase 1 | protein | 398 | 57% helix, 13% strand | Q89YI8 |
| B | Putative multiple inositol polyphosphate histidine phosphatase 1 | protein | 396 | 56% helix, 13% strand | Q89YI8 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 893 | 0.79 | 0.82 | 89 | empty |
| 2 | 430 | 0.65 | 0.78 | 48 | PO4, EDO |
| 3 | 452 | 0.64 | 0.77 | 47 | PO4, EDO |
| 4 | 54 | 0.45 | 0.84 | 13 | empty |
| 5 | 116 | 0.44 | 0.77 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 634 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4FDT · Crystal Structure of a Multiple Inositol Polyphosphate Phosphatase · the same entry in another collection · chain B against B, 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 Q89YI8
- Elsewhere: RCSB PDB 4FDT · PDBe 4FDT · UniProt Q89YI8
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