MolNFT v1 · #153014 · protein
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion
6J0L · Butyrophilin subfamily 3 member A3: “Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.74). MolNFT v1 #153014 on…
- PDB
- 6J0L
- Type
- protein
- Length
- 374 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Butyrophilin subfamily 3 member A3
- UniProt
- O00478
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Butyrophilin subfamily 3 member A3 | protein | 187 | 2% helix, 38% strand | O00478 |
| B | Butyrophilin subfamily 3 member A3 | protein | 187 | 6% helix, 38% strand | O00478 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.74 | 0.83 | 63 | SO4 |
| 2 | 292 | 0.50 | 0.73 | 46 | SO4 |
| 3 | 53 | 0.37 | 0.80 | 15 | SO4 |
Interfaces
1 interface between chains.
- A–B · 646 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6J0L · Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate… · the same entry in another collection · chain A against A, TM-score 1.00
- O00478 · AlphaFold monomer V2.0 prediction for butyrophilin subfamily 3 member A3 (O00478) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O00478
- Elsewhere: RCSB PDB 6J0L · PDBe 6J0L · UniProt O00478
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