MolNFT v1 · #10385 · protein
Inorganic pyrophosphatase from escherichia COLI with three magnesium ions
1IPW · Soluble inorganic pyrophosphatase: “Inorganic pyrophosphatase from escherichia COLI with three magnesium ions”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.54). MolNFT v1 #10385 on GenesisL1: 3D structure…
- PDB
- 1IPW
- Type
- protein
- Length
- 341 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble inorganic pyrophosphatase
- EC
- 3.6.1.1
- UniProt
- P0A7A9
- Ligands
- MG
- Pockets
- 5 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Soluble inorganic pyrophosphatase (EC 3.6.1.1) | protein | 168 | 20% helix, 34% strand | P0A7A9 |
| B | Soluble inorganic pyrophosphatase (EC 3.6.1.1) | protein | 173 | 20% helix, 35% strand | P0A7A9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 183 | 0.54 | 0.79 | 25 | empty |
| 2 | 151 | 0.51 | 0.79 | 25 | empty |
| 3 | 167 | 0.42 | 0.73 | 28 | empty |
| 4 | 151 | 0.39 | 0.73 | 28 | empty |
| 5 | 62 | 0.36 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 728 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 1IPW · Inorganic pyrophosphatase from escherichia COLI with three magnesium ions · the same entry in another collection · chain A against A, TM-score 1.00
- P0A7A9 · AlphaFold monomer V2.0 prediction for inorganic pyrophosphatase (P0A7A9) · a predicted model of the same protein · chain B 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 P0A7A9
- Elsewhere: RCSB PDB 1IPW · PDBe 1IPW · UniProt P0A7A9
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