8HIT: Anti-CTLA-4 humanized IgG1 MAb--JS007

Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4. Determined by X-ray diffraction at 3.2 Å resolution. Released 1 Feb 2023.

Method: X-ray diffraction
Resolution: 3.2 Å
Organisms: Mus musculus, Homo sapiens
Chains: 3
Atoms: 2,619
Mol. weight: 37.67 kDa
Released: 1 Feb 2023

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

Secondary structure: helices and β-sheets

8HIT contains 6 α-helices and 36 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, 13 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	1
β-strand	11-12	2	2
β-strand	18-25	8	1
β-strand	34-40	7	3
β-strand	46-53	8	3
β-strand	58-60	3	3
α-helix	62-64	3
β-strand	68-73	6	1
β-strand	78-83	6	1
α-helix	88-90	3
β-strand	92-99	8	3
β-strand	103	1	4
β-strand	108	1	3
β-strand	112-114	3	3
β-strand	115-116	2	2

Chain B: 3 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	5
β-strand	10-13	4	6
β-strand	19-25	7	5
β-strand	33-38	6	6
β-strand	44-49	6	6
β-strand	53-54	2	6
α-helix	55	1
β-strand	62-67	6	5
β-strand	70-75	6	5
α-helix	80-82	3
β-strand	85-90	6	6
α-helix	96	1
β-strand	98	1	6
β-strand	102-106	5	6

Chain C: 1 helix, 12 β-strands

Element	Residues	Length	Sheet
β-strand	36-37	2	7
β-strand	40-41	2	8
β-strand	45-47	3	7
β-strand	54-60	7	8
β-strand	64	1	4
β-strand	69-75	7	7
β-strand	82-89	8	7
β-strand	103-108	6	8
β-strand	111-116	6	8
α-helix	121-123	3
β-strand	125-133	9	7
β-strand	140-143	4	7
β-strand	147-150	4	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
JS007-vh	A	protein	118	Mus musculus
JS007-vl	B	protein	107	Mus musculus
Cytotoxic T-lymphocyte protein 4	C	protein	120	Homo sapiens	P16410 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8HIT_1 JS007-VH (chains A)
QVQLQESGPGLVKPSQTLSLTCTVSAYSITSGYYWNWIRQHPGKGLEWIGYIGYDGSNNY
NPSLKSRVTISRDTSKNQFSLKLSSVTAADTAVYYCARDYYSGYFDSWGQGTTLTVSS

Sequence of entity 2 (B), FASTA

>8HIT_2 JS007-VL (chains B)
DIQMTQSPSSLSASVGDRVTITCRASQNVGTYVAWYQQKPGKVPKPLIYSTSYRYSGVPS
RFSGSGSGTDFTLTISSLQPEDVATYFCHQYDTYPLTFGAGTKLELK

Sequence of entity 3 (C), FASTA

>8HIT_3 Cytotoxic T-lymphocyte protein 4 (chains C)
CKAMHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNE
LTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDP

Primary citation

Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer. Guan, J., Liu, H., Chai, Y. et al. MAbs (2023) 15:2153409-2153409. DOI 10.1080/19420862.2022.2153409 · PubMed

Other PDB entries of the same protein (UniProt P16410 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7CIO 1.1 Å, Molecular interactions of cytoplasmic region of CTLA-4 with SH2 domains of PI3-kinase
9DQ3 1.64 Å, Crystal structure of engineered Ipilimumab (mipi.4) Fab in complex with human CTLA-4
3OSK 1.8 Å, Crystal structure of human CTLA-4 apo homodimer
5GGV 2.0 Å, CTLA-4 in complex with tremelimumab Fab
3BX7 2.1 Å, Engineered Human Lipocalin 2 (LCN2) in Complex with the Extracellular Domain of Human…
7ELX 2.14 Å, The crystal structure of CTLA-4 and Fab
7DV4 2.38 Å, Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4
7SU0 2.41 Å, Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with…
7SU1 2.53 Å, Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with…
2X44 2.6 Å, Structure of a strand-swapped dimeric form of CTLA-4
6RP8 2.6 Å, Crystal Structure of Ipilimumab Fab complexed with CTLA-4 at 2.6A resolution
8GAB 2.72 Å, Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder

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