MolNFT v1 · #104822 · protein
The structure of inorganic pyrophosphatase from schistosoma japonicum
4QMB · SJCHGC07024 protein: “The structure of inorganic pyrophosphatase from schistosoma japonicum”. X-ray diffraction, 9 pockets (best druggability 0.64). MolNFT v1 #104822 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QMB
- Type
- protein
- Length
- 567 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SJCHGC07024 protein
- UniProt
- Q5DE13
- Pockets
- 9 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SJCHGC07024 protein | protein | 284 | 17% helix, 28% strand | Q5DE13 |
| B | SJCHGC07024 protein | protein | 283 | 14% helix, 28% strand | Q5DE13 |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.64 | 0.79 | 38 | empty |
| 2 | 322 | 0.63 | 0.79 | 42 | empty |
| 3 | 96 | 0.56 | 0.85 | 19 | empty |
| 4 | 158 | 0.47 | 0.77 | 28 | empty |
| 5 | 72 | 0.44 | 0.81 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 939 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4QMB · The structure of inorganic pyrophosphatase from Schistosoma japonicum · 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 Q5DE13
- Elsewhere: RCSB PDB 4QMB · PDBe 4QMB · UniProt Q5DE13
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