MolNFT v1 · #16878 · protein
Structure of inorganic pyrophosphatase
1OBW: “Structure of inorganic pyrophosphatase”. X-ray diffraction, 1 ligand (MG), 6 pockets (best druggability 0.83). MolNFT v1 #16878 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1OBW
- Type
- protein
- Length
- 525 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inorganic pyrophosphatase
- EC
- 3.6.1.1
- UniProt
- P0A7A9
- Ligands
- MG
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Inorganic pyrophosphatase (EC 3.6.1.1) | protein | 175 | 21% helix, 33% strand | P0A7A9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 7 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.83 | 0.91 | 33 | empty |
| 2 | 294 | 0.64 | 0.81 | 38 | MG |
| 3 | 227 | 0.62 | 0.82 | 36 | MG |
| 4 | 295 | 0.62 | 0.79 | 36 | empty |
| 5 | 349 | 0.58 | 0.76 | 36 | empty |
Interfaces
3 interfaces between chains.
- A–B · 777 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 755 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 750 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
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 P0A7A9
- Elsewhere: RCSB PDB 1OBW · PDBe 1OBW · UniProt P0A7A9
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