MolNFT v1 · #115814 · protein
Crystal structure of trypanosoma cruzi vacuolar soluble pyrophosphatases in apo form
5CUV · Acidocalcisomal pyrophosphatase: “Crystal structure of trypanosoma cruzi vacuolar soluble pyrophosphatases in apo form”. X-ray diffraction, 2 ligands (MLT, MG), 11 pockets (best druggability 0.77). MolNFT v1 #115814 on GenesisL1: 3D…
- PDB
- 5CUV
- Type
- protein
- Length
- 761 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acidocalcisomal pyrophosphatase
- UniProt
- Q4JH30
- Ligands
- MLT, MG
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acidocalcisomal pyrophosphatase | protein | 382 | 31% helix, 22% strand | Q4JH30 |
| B | Acidocalcisomal pyrophosphatase | protein | 379 | 27% helix, 22% strand | Q4JH30 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 903 | 0.77 | 0.80 | 82 | MLT |
| 2 | 646 | 0.68 | 0.77 | 58 | empty |
| 3 | 691 | 0.67 | 0.75 | 62 | empty |
| 4 | 291 | 0.62 | 0.79 | 29 | empty |
| 5 | 270 | 0.61 | 0.80 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 4187 Ų buried · 55 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 5CUV · Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form · 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 Q4JH30
- Elsewhere: RCSB PDB 5CUV · PDBe 5CUV · UniProt Q4JH30
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