MolNFT v1 · #38284 · protein
Structure of xac nucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE
2GSN · Phosphodiesterase-nucleotide pyrophosphatase: “Structure of xac nucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.80). MolNFT v1 #38284 on GenesisL1: 3D structure…
- PDB
- 2GSN
- Type
- protein
- Length
- 764 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphodiesterase-nucleotide pyrophosphatase
- EC
- 3.6.1.9
- UniProt
- Q8PIS1
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphodiesterase-nucleotide pyrophosphatase (EC 3.6.1.9) | protein | 382 | 35% helix, 22% strand | Q8PIS1 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 768 | 0.80 | 0.84 | 99 | empty |
| 2 | 469 | 0.66 | 0.78 | 44 | empty |
| 3 | 471 | 0.65 | 0.77 | 44 | empty |
| 4 | 145 | 0.52 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 708 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2GSN · Structure of Xac Nucleotide Pyrophosphatase/Phosphodiesterase · 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 Q8PIS1
- Elsewhere: RCSB PDB 2GSN · PDBe 2GSN · UniProt Q8PIS1
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