6XLQ: Human BTN3A1 Ectodomain

Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab. Determined by X-ray diffraction at 3.0 Å resolution. Released 2 Sept 2020.

Method: X-ray diffraction
Resolution: 3.0 Å
Organism: Homo sapiens
Chains: 12
Atoms: 19,387
Mol. weight: 284.7 kDa
Released: 2 Sept 2020

Explore 6XLQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6XLQ contains 97 α-helices and 253 β-strands across 12 chains. 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, 20 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	1
α-helix	10	1
β-strand	11-14	4	2
β-strand	19-26	8	1
β-strand	35-40	6	2
β-strand	46-51	6	2
β-strand	54-55	2	2
β-strand	68-71	4	1
α-helix	75-77	3
β-strand	79-84	6	1
α-helix	89-91	3
β-strand	93-101	9	2
β-strand	104-115	12	2
β-strand	116	1	3
α-helix	117-121	5
β-strand	122-129	8	4
β-strand	132-142	11	4
β-strand	143	1	3
α-helix	145-146	2
β-strand	147-152	6	5
β-strand	157-158	2	5
β-strand	161-167	7	4
β-strand	173-181	9	4
β-strand	189-195	7	5
β-strand	200-208	9	5
α-helix	210-212	3

Chain B: 9 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	3-6	4	6
α-helix	7-9	3
β-strand	10-12	3	7
β-strand	18-25	8	6
α-helix	29-31	3
β-strand	34-39	6	7
β-strand	45-51	7	7
β-strand	58-60	3	7
α-helix	62-64	3
β-strand	68-73	6	6
β-strand	78-83	6	6
α-helix	88-90	3
β-strand	92-99	8	7
α-helix	100	1
β-strand	110-113	4	7
α-helix	114-116	3
β-strand	117-121	5	7
β-strand	127	1	8
α-helix	128-129	2
β-strand	130-134	5	9
β-strand	146-155	10	9
β-strand	156	1	8
β-strand	161-164	4	10
β-strand	169	1	10
β-strand	173-175	3	9
α-helix	176-178	3
β-strand	179-180	2	9
β-strand	186-194	9	9
α-helix	196-200	5
β-strand	204-210	7	10
β-strand	215-221	7	10

Chain C: 8 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	11
β-strand	10-13	4	12
β-strand	19-25	7	11
β-strand	33-38	6	12
β-strand	45-49	5	12
β-strand	53-54	2	12
α-helix	55	1
β-strand	62-67	6	11
β-strand	70-75	6	11
α-helix	80-82	3
β-strand	85-90	6	12
α-helix	96	1
β-strand	97-98	2	12
β-strand	102-106	5	12
β-strand	111	1	13
α-helix	112-113	2
β-strand	114-118	5	14
α-helix	119-121	3
α-helix	122-127	6
β-strand	129-139	11	14
β-strand	140	1	13
β-strand	144-150	7	15
β-strand	153-154	2	15
β-strand	159-163	5	14
α-helix	164-167	4
β-strand	173-182	10	14
α-helix	183-188	6
β-strand	191-198	8	15
β-strand	205-210	6	15

Chain D: 8 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	16
α-helix	10	1
β-strand	11-14	4	17
β-strand	19-26	8	16
β-strand	35-40	6	17
β-strand	45-51	7	17
β-strand	54-55	2	17
α-helix	57-59	3
β-strand	68-71	4	16
α-helix	75-77	3
β-strand	79-84	6	16
α-helix	89-91	3
β-strand	93-101	9	17
β-strand	104-115	12	17
β-strand	116	1	18
α-helix	117-121	5
β-strand	122-129	8	5
β-strand	132-142	11	5
β-strand	143	1	18
α-helix	145-146	2
β-strand	147-152	6	4
β-strand	157-158	2	4
β-strand	161-163	3	5
α-helix	164-165	2
β-strand	173-181	9	5
β-strand	189-195	7	4
β-strand	200-208	9	4
α-helix	210-212	3

Chain E: 10 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	3-6	4	19
α-helix	7-9	3
β-strand	10-12	3	20
β-strand	18-25	8	19
α-helix	29-31	3
β-strand	34-39	6	20
β-strand	45-51	7	20
β-strand	58-60	3	20
α-helix	62-64	3
β-strand	68-73	6	19
α-helix	74-76	3
β-strand	78-83	6	19
α-helix	88-90	3
β-strand	92-99	8	20
α-helix	100	1
β-strand	110-113	4	20
β-strand	117-121	5	20
β-strand	127	1	21
α-helix	128-129	2
β-strand	130-134	5	22
β-strand	146-155	10	22
β-strand	156	1	21
β-strand	161-164	4	23
α-helix	165-167	3
β-strand	169	1	23
β-strand	173-175	3	22
α-helix	176-178	3
β-strand	179-180	2	22
β-strand	186-194	9	22
α-helix	197-201	5
β-strand	205-210	6	23
β-strand	215-220	6	23

Chain F: 10 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	24
β-strand	10-13	4	25
β-strand	19-25	7	24
β-strand	33-38	6	25
α-helix	43-44	2
β-strand	45-48	4	25
α-helix	53	1
β-strand	54	1	25
α-helix	55	1
β-strand	63-67	5	24
β-strand	70-75	6	24
α-helix	80-82	3
β-strand	85-90	6	25
α-helix	96	1
β-strand	97-98	2	25
β-strand	102-106	5	25
β-strand	111	1	26
α-helix	112-113	2
β-strand	114-118	5	27
α-helix	119-121	3
α-helix	122-127	6
β-strand	129-139	11	27
β-strand	140	1	26
β-strand	144-150	7	28
β-strand	153-154	2	28
β-strand	159-163	5	27
α-helix	164-167	4
β-strand	173-182	10	27
α-helix	183-188	6
β-strand	191-198	8	28
β-strand	205-210	6	28

Chain G: 8 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	29
α-helix	10	1
β-strand	11-14	4	30
β-strand	19-26	8	29
β-strand	35-40	6	30
β-strand	45-51	7	30
β-strand	54-55	2	30
α-helix	57-59	3
β-strand	68-71	4	29
α-helix	75-77	3
β-strand	79-84	6	29
α-helix	89-91	3
β-strand	93-101	9	30
β-strand	104-115	12	30
β-strand	116	1	31
α-helix	117-121	5
β-strand	122-129	8	32
β-strand	132-142	11	32
β-strand	143	1	31
α-helix	145-146	2
β-strand	147-152	6	33
β-strand	157-158	2	33
β-strand	161-162	2	32
α-helix	163-165	3
β-strand	166-167	2	32
β-strand	173-181	9	32
β-strand	189-195	7	33
β-strand	200-208	9	33
α-helix	210-212	3

Chain H: 7 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	3-6	4	34
α-helix	7-9	3
β-strand	10-12	3	35
β-strand	17-25	9	34
α-helix	29-31	3
β-strand	34-39	6	35
β-strand	45-51	7	35
β-strand	58-60	3	35
β-strand	68-73	6	34
β-strand	78-84	7	34
α-helix	88-90	3
β-strand	92-99	8	35
α-helix	100	1
β-strand	110-113	4	35
β-strand	117-121	5	35
β-strand	127	1	36
α-helix	128-129	2
β-strand	130-134	5	37
β-strand	146-155	10	37
β-strand	156	1	36
β-strand	161-164	4	38
β-strand	169	1	38
β-strand	173-175	3	37
α-helix	176-178	3
β-strand	179-180	2	37
β-strand	186-194	9	37
α-helix	197-200	4
β-strand	205-210	6	38
β-strand	215-220	6	38

3 more chain groups are not listed. Open the entry in the viewer and use the sequence panel to see them.

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Butyrophilin subfamily 3 member A1	A, D, G, J	protein	226	Homo sapiens	O00481 (AlphaFold model)
CTX-2026 Heavy Chain	B, E, H, K	protein	223	Homo sapiens
CTX-2026 Light Chain	C, F, I, L	protein	212	Homo sapiens

Sequence of entity 1 (A, D, G, J), FASTA

>6XLQ_1 Butyrophilin subfamily 3 member A1 (chains A, D, G, J)
QFSVLGPSGPILAMVGEDADLPCHLFPTMSAETMELKWVSSSLRQVVNVYADGKEVEDRQ
SAPYRGRTSILRDGITAGKAALRIHNVTASDSGKYLCYFQDGDFYEKALVELKVAALGSD
LHVDVKGYKDGGIHLECRSTGWYPQPQIQWSNNKGENIPTVEAPVVADGVGLYAVAASVI
MRGSSGEGVSCTIRSSLLGLEKTASISIADPFFRSAQRWIAALAGT

Sequence of entity 2 (B, E, H, K), FASTA

>6XLQ_2 CTX-2026 Heavy Chain (chains B, E, H, K)
QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTKY
AQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARRHSDMIGYYYGMDVWGQGTTVT
VSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVL
QSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP

Sequence of entity 3 (C, F, I, L), FASTA

>6XLQ_3 CTX-2026 Light Chain (chains C, F, I, L)
DIQMTQSPSSVSASVGDRVTITCRASQGISSWLAWYQQKPGKAPKLLIYAASSLQSGVPS
RFSGSGSGTDFTLTISSLQPEDFATYYCQQATDFPPTFGGGTKVEIKRTVAAPSVFIFPP
SDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLT
LSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Primary citation

BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells. Payne, K.K., Mine, J.A., Biswas, S. et al. Science (2020) 369:942-949. DOI 10.1126/science.aay2767 · 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
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

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