8TUI: Fab-Lirilumab

Crystal structure of Fab-Lirilumab bound to KIR2DL3. Determined by X-ray diffraction at 2.75 Å resolution. Released 6 Dec 2023.

Method: X-ray diffraction
Resolution: 2.75 Å
Organism: Homo sapiens
Chains: 3
Atoms: 4,176
Mol. weight: 80.79 kDa
Released: 6 Dec 2023

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

Secondary structure: helices and β-sheets

8TUI contains 14 α-helices and 58 β-strands across 3 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: 2 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	9-13	5	13
β-strand	17-18	2	14
β-strand	24-30	7	13
β-strand	36-42	7	3
β-strand	47-52	6	3
β-strand	54-55	2	13
β-strand	60-66	7	13
α-helix	71-73	3
β-strand	75-82	8	3
α-helix	92-96	5
β-strand	97-99	3	3
β-strand	100-101	2	14

Chain H: 5 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	3-6	4	1
β-strand	10-12	3	2
β-strand	18-25	8	1
β-strand	32-39	8	2
β-strand	45-52	8	2
α-helix	53-55	3
β-strand	57-60	4	2
β-strand	68-72	5	1
β-strand	78-83	6	1
α-helix	88-90	3
β-strand	92-100	9	2
β-strand	106	1	3
α-helix	109-111	3
β-strand	112-113	2	2
β-strand	117-121	5	2
β-strand	127	1	4
β-strand	130-134	5	5
β-strand	141	1	5
β-strand	145-155	11	5
β-strand	156	1	4
β-strand	161-164	4	6
α-helix	165-167	3
β-strand	169	1	6
β-strand	173-175	3	5
α-helix	176-178	3
β-strand	179-180	2	5
β-strand	186-195	10	5
β-strand	205-210	6	6
β-strand	214-219	6	6

Chain L: 7 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	7
β-strand	10-13	4	8
β-strand	19-25	7	7
β-strand	33-38	6	8
β-strand	45-49	5	8
β-strand	53-54	2	8
α-helix	55	1
β-strand	62-67	6	7
β-strand	70-75	6	7
α-helix	80-82	3
β-strand	85-90	6	8
β-strand	92	1	9
β-strand	95	1	9
α-helix	97	1
β-strand	98	1	8
β-strand	99	1	7
β-strand	102-106	5	8
β-strand	111	1	10
β-strand	114-118	5	11
α-helix	119-121	3
α-helix	122-127	6
β-strand	129-139	11	11
β-strand	140	1	10
β-strand	145-150	6	12
β-strand	154	1	12
β-strand	159-163	5	11
α-helix	164-167	4
β-strand	173-182	10	11
α-helix	185-188	4
β-strand	191-197	7	12
β-strand	205-210	6	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Lirilumab Fab Heavy Chain	H	protein	265	Homo sapiens
Lirilumab Fab Light chain	L	protein	214	Homo sapiens
Killer cell immunoglobulin-like receptor 2DL3	A	protein	257	Homo sapiens	P43628 (AlphaFold model)

Sequence of entity 1 (H), FASTA

>8TUI_1 Lirilumab Fab Heavy Chain (chains H)
QSQVQLVQSGAEVKKPGSSVKVSCKASGGTFSFYAISWVRQAPGQGLEWMGGFIPIFGAA
NYAQKFQGRVTITADESTSTAYMELSSLRSDDTAVYYCARIPSGSYYYDYDMDVWGQGTT
VTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPA
VLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCASLVPRGSGWSH
PQFEKGGGSGGGSGGGSWSHPQFEK

Sequence of entity 2 (L), FASTA

>8TUI_2 Lirilumab Fab Light chain (chains L)
EIVLTQSPVTLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPA
RFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWMYTFGQGTKLEIKRTVAAPSVFIFPP
SDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLT
LSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Sequence of entity 3 (A), FASTA

>8TUI_3 Killer cell immunoglobulin-like receptor 2DL3 (chains A)
HEGVHRKPSLLAHPGPLVKSEETVILQCWSDVRFQHFLLHREGKFKDTLHLIGEHHDGVS
KANFSIGPMMQDLAGTYRCYGSVTHSPYQLSAPSDPLDIVITGLYEKPSLSAQPGPTVLA
GESVTLSCSSRSSYDMYHLSREGEAHERRFSAGPKVNGTFQADFPLGPATHGGTYRCFGS
FRDSPYEWSNSSDPLLVSVTGNPSNSWPSPTEPSSETGNPRHLHAAAEQKLISEEDLNLD
LVPRGSSSHHHHHHSSG

Primary citation

Structural basis for the activity and specificity of the immune checkpoint inhibitor lirilumab. Lorig-Roach, N., Harpell, N.M., DuBois, R.M. Sci Rep (2024) 14:742-742. DOI 10.1038/s41598-023-50262-6 · PubMed

Other PDB entries of the same protein (UniProt P43628 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6PAG 2.5 Å, Killer cell immunoglobulin-like receptor 2DL3 in complex with HLA-C*07:02
1B6U 3.0 Å, Crystal structure of the human killer cell inhibitory receptor (KIR2DL3) specific for…

Browse structure collections

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