MolNFT v1 · #18746 · protein
X-ray diffraction study of inorganic pyrophosphatase from BAKER,S yeast at the 3 ångströms resolution (russian)
1PYP: “X-ray diffraction study of inorganic pyrophosphatase from BAKER,S yeast at the 3 ångströms resolution…”. X-ray diffraction, 14 pockets (best druggability 0.69). MolNFT v1 #18746 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1PYP
- Type
- protein
- Length
- 560 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inorganic pyrophosphatase
- EC
- 3.6.1.1
- UniProt
- P00817
- Pockets
- 14 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inorganic pyrophosphatase (EC 3.6.1.1) | protein | 280 | 15% helix, 13% strand | P00817 |
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.69 | 0.96 | 21 | empty |
| 2 | 53 | 0.69 | 0.97 | 21 | empty |
| 3 | 532 | 0.66 | 0.77 | 54 | empty |
| 4 | 97 | 0.58 | 0.86 | 21 | empty |
| 5 | 171 | 0.58 | 0.82 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 947 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 isopeptide (isopeptide).
Compared structures
- 1PYP · X-ray diffraction study of inorganic pyrophosphatase from BAKER,S yeast at the 3… · the same entry in another collection · chain A against A, TM-score 1.00
- P00817 · AlphaFold monomer V2.0 prediction for inorganic pyrophosphatase (P00817) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P00817
- Elsewhere: RCSB PDB 1PYP · PDBe 1PYP · UniProt P00817
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