MolNFT v1 · #75901 · protein
Magnesium activated inorganic pyrophosphatase from thermococcus thioreducens bound to hydrolyzed product at 0.99 ångström resolution
3Q46 · Tt-ippase: “Magnesium activated inorganic pyrophosphatase from thermococcus thioreducens bound to hydrolyzed product at…”. X-ray diffraction, 3 ligands (MG, PO4, CL), 1 pocket (best druggability 0.46). MolNFT v1 #75901 on GenesisL1…
- PDB
- 3Q46
- Type
- protein
- Length
- 178 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tt-ippase
- Ligands
- MG, PO4, CL
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tt-ippase | protein | 178 | 22% helix, 34% strand | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A
- PO4 · Phosphate ion · ion · chains A
- CL · Chloride ion · ion · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.46 | 0.82 | 23 | PO4, MG, CL |
Compared structures
- 3Q46 · Magnesium activated Inorganic pyrophosphatase from Thermococcus thioreducens bound to… · 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
- Elsewhere: RCSB PDB 3Q46 · PDBe 3Q46
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