MolNFT v1 · #87110 · protein
Rat NTPDASE2 in complex with ca ampnp
4BR0 · Ectonucleoside triphosphate diphosphohydrolase 2: “Rat NTPDASE2 in complex with ca ampnp”. X-ray diffraction, 2 ligands (AU1, CA), 2 pockets (best druggability 0.70). MolNFT v1 #87110 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4BR0
- 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.-, 3.6.1.5
- UniProt
- O35795
- Ligands
- AU1, CA
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ectonucleoside triphosphate diphosphohydrolase 2 (EC 3.6.1.-, 3.6.1.5) | protein | 419 | 40% helix, 25% strand | O35795 |
Ligands and binding sites
- AU1 · 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine · ligand · chains A
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.70 | 0.83 | 43 | AU1, CA |
| 2 | 323 | 0.54 | 0.74 | 38 | GOL |
Modifications
Observed in the structure: 5 disulfide (disulfide).
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 O35795
- Elsewhere: RCSB PDB 4BR0 · PDBe 4BR0 · UniProt O35795
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