8IZE: Intracellular B30.2 domain of BTN3A1

Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP. Determined by X-ray diffraction at 1.4 Å resolution. Released 13 Sept 2023.

Method: X-ray diffraction
Resolution: 1.4 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,782
Mol. weight: 23.04 kDa
Ligands: S9R
Released: 13 Sept 2023

Explore 8IZE in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8IZE contains 6 α-helices and 17 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 6 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	298-306	9
β-strand	308-309	2	1
α-helix	310	1
β-strand	314	1	2
α-helix	316-318	3
β-strand	323-325	3	1
β-strand	331-334	4	1
β-strand	353-355	3	3
β-strand	356	1	2
β-strand	360	1	3
β-strand	364-370	7	1
β-strand	377-383	7	3
α-helix	396-398	3
β-strand	400-406	7	3
β-strand	410-413	4	3
β-strand	419-420	2	3
β-strand	429-435	7	1
β-strand	440-445	6	1
β-strand	451-455	5	1
β-strand	464-469	6	3
α-helix	477	1
β-strand	478-480	3	1
α-helix	481-482	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Butyrophilin subfamily 3 member A1	A	protein	196	Homo sapiens	O00481 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8IZE_1 Butyrophilin subfamily 3 member A1 (chains A)
MGAYNEWKKALFKPADVILDPKTANPILLVSEDQRSVQRAKEPQDLPDNPERFNWHYCVL
GCESFISGRHYWEVEVGDRKEWHIGVCSKNVQRKGWVKMTPENGFWTMGLTDGNKYRTLT
EPRTNLKLPKPPKKVGVFLDYETGDISFYNAVDGSHIHTFLDVSFSEALYPVFRILTLEP
TALTICPALEHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
S9R	[(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate	C6 H14 O8 P2	1

Water and common crystallization additives (PEG) are not listed.

Primary citation

Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Yuan, L., Ma, X., Yang, Y. et al. Nature (2023) 621:840-848. DOI 10.1038/s41586-023-06525-3 · PubMed

Other PDB entries of the same protein (UniProt O00481 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6ITA 1.2 Å, Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
6ISM 1.25 Å, Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
4N7I 1.4 Å, Crystal Structure of Intracellular B30.2 Domain of BTN3A1
4N7U 1.46 Å, Crystal Structure of Intracellular B30.2 Domain of BTN3A1 in Complex with CHDMAPP
5LYG 1.6 Å, Crystal structure of intracellular B30.2 domain of BTN3A1 bound to malonate
8IZG 1.6 Å, Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP
5LYK 1.7 Å, Crystal structure of intracellular B30.2 domain of BTN3A1 bound to citrate
8IXV 1.72 Å, Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP
4K55 1.91 Å, Structure of the extracellular domain of butyrophilin BTN3A1 in complex with…
5HM7 1.93 Å, The Intracellular domain of Butyrophilin 3A1 protein
4F80 1.94 Å, Crystal Structure of the human BTN3A1 ectodomain
5ZXK 1.96 Å, Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP

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