Research workbench
Neutron structure from microgravity-grown crystals of inorganic pyrophosphatase from thermococcus theoreducens
Analyse Neutron structure from microgravity-grown crystals of inorganic pyrophosphatase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TY5
- Type
- protein
- Length
- 1,044 residues
- Chains
- 6
- Method
- neutron diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inorganic pyrophosphatase
- EC
- 3.6.1.1
- UniProt
- H0USY5
- Pockets
- 10 · best druggability 0.77
Structure
neutron diffraction · 4 distinct chains · 24% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Inorganic pyrophosphatase (EC 3.6.1.1) | protein | 174 | 24% helix, 33% strand | H0USY5 |
| B | Inorganic pyrophosphatase (EC 3.6.1.1) | protein | 175 | 24% helix, 33% strand | H0USY5 |
| C, E | Inorganic pyrophosphatase (EC 3.6.1.1) | protein | 174 | 25% helix, 33% strand | H0USY5 |
| F | Inorganic pyrophosphatase (EC 3.6.1.1) | protein | 173 | 24% helix, 34% strand | H0USY5 |
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 379 | 0.77 | 0.87 | 33 | empty |
| 2 | 408 | 0.75 | 0.84 | 36 | empty |
| 3 | 167 | 0.60 | 0.83 | 30 | empty |
| 4 | 200 | 0.60 | 0.81 | 29 | empty |
| 5 | 249 | 0.58 | 0.79 | 35 | empty |
Interfaces
6 interfaces between chains.
- B–C · 843 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 841 Ų buried · 7 hydrogen bonds · protein-protein
- D–F · 837 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 829 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 822 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5TY5 · Neutron structure from microgravity-grown crystals of Inorganic Pyrophosphatase from… · 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 H0USY5
- Elsewhere: RCSB PDB 5TY5 · PDBe 5TY5 · UniProt H0USY5
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