MolNFT v1 · #5286 · protein
Structure of E. COLI alkaline phosphatase inhibited by the inorganic phosphate at 1.75A resolution
1ED8: “Structure of E. COLI alkaline phosphatase inhibited by the inorganic phosphate at 1.75A resolution”. X-ray diffraction, 4 ligands (ZN, MG, PO4), 5 pockets (best druggability 0.79). MolNFT v1 #5286 on GenesisL1: 3D structure, binding…
- PDB
- 1ED8
- Type
- protein
- Length
- 898 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkaline phosphatase
- EC
- 3.1.3.1
- UniProt
- P00634
- Ligands
- ZN, MG, PO4, SO4
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alkaline phosphatase (EC 3.1.3.1) | protein | 449 | 31% helix, 21% strand | P00634 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.79 | 0.99 | 29 | empty |
| 2 | 63 | 0.55 | 0.88 | 14 | empty |
| 3 | 62 | 0.54 | 0.88 | 15 | empty |
| 4 | 104 | 0.35 | 0.74 | 25 | PO4 |
| 5 | 92 | 0.32 | 0.73 | 25 | PO4 |
Interfaces
1 interface between chains.
- A–B · 3954 Ų buried · 64 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1ED8 · Structure of E. COLI alkaline phosphatase inhibited by the inorganic phosphate at 1.75A… · the same entry in another collection · chain A against A, TM-score 1.00
- P00634 · AlphaFold monomer V2.0 prediction for alkaline phosphatase (P00634) · a predicted model of the same protein · 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 P00634
- Elsewhere: RCSB PDB 1ED8 · PDBe 1ED8 · UniProt P00634
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