MolNFT v1 · #96264 · protein
Crystal structure of toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDASE1)
4JEP · Nucleoside-triphosphatase 2: “Crystal structure of toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDASE1)”. X-ray diffraction, 18 pockets (best druggability 0.83). MolNFT v1 #96264 on GenesisL1: 3D structure…
- PDB
- 4JEP
- Type
- protein
- Length
- 1,126 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nucleoside-triphosphatase 2
- EC
- 3.6.1.15
- UniProt
- Q27895
- Pockets
- 18 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nucleoside-triphosphatase 2 (EC 3.6.1.15) | protein | 574 | 40% helix, 18% strand | Q27895 |
| B | Nucleoside-triphosphatase 2 (EC 3.6.1.15) | protein | 552 | 39% helix, 16% strand | Q27895 |
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1151 | 0.83 | 0.84 | 103 | empty |
| 2 | 264 | 0.77 | 0.90 | 30 | empty |
| 3 | 742 | 0.76 | 0.81 | 64 | empty |
| 4 | 372 | 0.76 | 0.86 | 37 | empty |
| 5 | 138 | 0.61 | 0.85 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 909 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 disulfide (disulfide).
Compared structures
- 4JEP · Crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1… · the same entry in another collection · chain A against A, TM-score 1.00
- Q27895 · AlphaFold monomer V2.0 prediction for nucleoside-triphosphatase 2 (Q27895) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q27895
- Elsewhere: RCSB PDB 4JEP · PDBe 4JEP · UniProt Q27895
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