5LYK: Intracellular B30.2 domain of BTN3A1

Crystal structure of intracellular B30.2 domain of BTN3A1 bound to citrate. Determined by X-ray diffraction at 1.7 Å resolution. Released 13 Sept 2017.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,723
Mol. weight: 21.74 kDa
Ligands: FLC
Released: 13 Sept 2017

Explore 5LYK in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5LYK contains 4 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: 4 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	328-336	9
β-strand	338-339	2	1
β-strand	344	1	2
α-helix	346-348	3
β-strand	353-355	3	1
β-strand	361-364	4	1
β-strand	383-385	3	3
β-strand	386	1	2
β-strand	390	1	3
β-strand	394-400	7	1
β-strand	407-413	7	3
α-helix	426-428	3
β-strand	430-436	7	3
β-strand	440-443	4	3
β-strand	449-450	2	3
β-strand	459-465	7	1
β-strand	470-475	6	1
β-strand	481-485	5	1
β-strand	494-499	6	3
β-strand	508-510	3	1
α-helix	511-512	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Butyrophilin subfamily 3 member A1	A	protein	187	Homo sapiens	O00481 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5LYK_1 Butyrophilin subfamily 3 member A1 (chains A)
SAYNEWKKALFKPADVILDPKTANPILLVSEDQRSVQRAKEPQDLPDNPERFNWHYCVLG
CESFISGRHYWEVEVGDRKEWHIGVCSKNVQRKGWVKMTPENGFWTMGLTDGNKYRTLTE
PRTNLKLPKPPKKVGVFLDYETGDISFYNAVDGSHIHTFLDVSFSEALYPVFRILTLEPT
ALTICPA

Ligands and cofactors

ID	Name	Formula	Copies
FLC	Citrate anion	C6 H5 O7	1

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

Primary citation

BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain. Salim, M., Knowles, T.J., Baker, A.T. et al. ACS Chem Biol (2017) 12:2631-2643. DOI 10.1021/acschembio.7b00694 · 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
8IZE 1.4 Å, Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP
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
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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