MolNFT v1 · #60151 · protein
Structure of rattus norvegicus NTPDASE2 in complex with calcium and amppnp
3CJA · Ectonucleoside triphosphate diphosphohydrolase 2: “Structure of rattus norvegicus NTPDASE2 in complex with calcium and amppnp”. X-ray diffraction, 2 ligands (ANP, CA), 3 pockets (best druggability 0.66). MolNFT v1 #60151 on…
- PDB
- 3CJA
- Type
- protein
- Length
- 419 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ectonucleoside triphosphate diphosphohydrolase 2
- EC
- 3.6.1.5
- UniProt
- O35795
- Ligands
- ANP, CA
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ectonucleoside triphosphate diphosphohydrolase 2 (EC 3.6.1.5) | protein | 419 | 38% helix, 24% strand | O35795 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 304 | 0.66 | 0.82 | 35 | CA, ANP |
| 2 | 314 | 0.54 | 0.75 | 38 | empty |
| 3 | 56 | 0.33 | 0.77 | 12 | empty |
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 3CJA · Structure of Rattus norvegicus NTPDase2 in complex with calcium and AMPPNP · the same entry in another collection · chain A against A, TM-score 1.00
- O35795 · AlphaFold monomer V2.0 prediction for ectonucleoside triphosphate diphosphohydrolase 2… · a predicted model of the same protein · chain A against A, TM-score 0.91
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 O35795
- Elsewhere: RCSB PDB 3CJA · PDBe 3CJA · UniProt O35795
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