MolNFT v1 · #75924 · protein
The structure of archaeal inorganic pyrophosphatase in complex with substrate
3Q4W · Tt-ippase: “The structure of archaeal inorganic pyrophosphatase in complex with substrate”. X-ray diffraction, 4 ligands (POP, CA, NA), 1 pocket (best druggability 0.53). MolNFT v1 #75924 on GenesisL1: 3D structure, binding sites…
- PDB
- 3Q4W
- Type
- protein
- Length
- 175 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tt-ippase
- Ligands
- POP, CA, NA, BR
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tt-ippase | protein | 175 | 25% helix, 33% strand | — |
Ligands and binding sites
- POP · Pyrophosphate 2- · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- NA · Sodium ion · metal · chains A
- BR · Bromide ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.53 | 0.82 | 22 | CA, POP, BR, NA |
Compared structures
- 3Q4W · The structure of archaeal inorganic pyrophosphatase in complex with substrate · 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 3Q4W · PDBe 3Q4W
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