MolNFT v1 · #72979 · protein
Crystal structure of natural killer cell cytotoxicity receptor NKP30 (NCR3)
3NOI · Natural cytotoxicity triggering receptor 3: “Crystal structure of natural killer cell cytotoxicity receptor NKP30 (NCR3)”. X-ray diffraction, 2 ligands (1PG, CA), 3 pockets (best druggability 0.50). MolNFT v1 #72979 on GenesisL1: 3D…
- PDB
- 3NOI
- Type
- protein
- Length
- 239 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Natural cytotoxicity triggering receptor 3
- UniProt
- O14931
- Ligands
- 1PG, CA
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Natural cytotoxicity triggering receptor 3 | protein | 119 | 8% helix, 39% strand | O14931 |
| B | Natural cytotoxicity triggering receptor 3 | protein | 120 | 8% helix, 38% strand | O14931 |
Ligands and binding sites
- 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · ligand · 3 copies · chains A, B
- CA · Calcium ion · metal · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.50 | 0.76 | 22 | CA |
| 2 | 129 | 0.42 | 0.76 | 19 | empty |
| 3 | 62 | 0.29 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 523 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3NOI · Crystal Structure of Natural Killer Cell Cytotoxicity Receptor NKp30 (NCR3) · the same entry in another collection · chain A against A, TM-score 1.00
- O14931 · AlphaFold monomer V2.0 prediction for natural cytotoxicity triggering receptor 3 (O14931) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 O14931
- Elsewhere: RCSB PDB 3NOI · PDBe 3NOI · UniProt O14931
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