MolNFT v1 · #79868 · protein
E. COLI alkaline phosphatase with bound inorganic phosphate
3TG0: “E. COLI alkaline phosphatase with bound inorganic phosphate”. X-ray diffraction, 3 ligands (ZN, MG, PO4), 10 pockets (best druggability 0.79). MolNFT v1 #79868 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3TG0
- Type
- protein
- Length
- 1,763 residues
- Chains
- 4
- 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
- Pockets
- 10 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Alkaline phosphatase (EC 3.1.3.1) | protein | 440 | 32% helix, 21% strand | P00634 |
| D | Alkaline phosphatase (EC 3.1.3.1) | protein | 443 | 31% helix, 21% strand | P00634 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 105 | 0.79 | 0.99 | 25 | empty |
| 2 | 105 | 0.79 | 0.99 | 28 | empty |
| 3 | 104 | 0.39 | 0.76 | 23 | empty |
| 4 | 80 | 0.39 | 0.78 | 21 | empty |
| 5 | 93 | 0.37 | 0.76 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–B · 3915 Ų buried · 63 hydrogen bonds · protein-protein
- C–D · 3909 Ų buried · 63 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3TG0 · E. coli alkaline phosphatase with bound inorganic phosphate · 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 P00634
- Elsewhere: RCSB PDB 3TG0 · PDBe 3TG0 · UniProt P00634
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