8GAB: CTLA-4

Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder. Determined by X-ray diffraction at 2.72 Å resolution. Released 21 Aug 2024.

Method: X-ray diffraction
Resolution: 2.72 Å
Organisms: synthetic construct, Homo sapiens
Chains: 4
Atoms: 3,462
Mol. weight: 52.65 kDa
Released: 21 Aug 2024

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

Secondary structure: helices and β-sheets

8GAB contains 13 α-helices and 25 β-strands across 4 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: 5 helices, 0 β-strands

Element	Residues	Length
α-helix	3-20	18
α-helix	23-42	20
α-helix	46-63	18
α-helix	66-85	20
α-helix	89-103	15

Chain B: 2 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	5-6	2	1
β-strand	10-12	3	2
β-strand	19-25	7	1
β-strand	33-41	9	2
β-strand	46-55	10	2
β-strand	59	1	1
β-strand	62	1	2
β-strand	68-73	6	1
β-strand	76-81	6	1
α-helix	86-88	3
β-strand	90-100	11	2
α-helix	104	1
β-strand	105-108	4	2
β-strand	112-115	4	2

Chain C: 5 helices, 0 β-strands

Element	Residues	Length
α-helix	3-19	17
α-helix	23-42	20
α-helix	46-63	18
α-helix	66-85	20
α-helix	89-102	14

Chain D: 1 helix, 13 β-strands

Element	Residues	Length	Sheet
β-strand	4	1	3
β-strand	5-6	2	4
β-strand	10-12	3	3
β-strand	19-25	7	4
β-strand	33-41	9	3
β-strand	46-55	10	3
β-strand	59	1	4
β-strand	61-62	2	3
β-strand	68-73	6	4
β-strand	76-81	6	4
β-strand	90-100	11	3
α-helix	104	1
β-strand	105-108	4	3
β-strand	112-115	4	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
CTLA-4 binder	A, C	protein	109	synthetic construct
Cytotoxic T-lymphocyte protein 4	B, D	protein	126	Homo sapiens	P16410 (AlphaFold model)

Sequence of entity 1 (A, C), FASTA

>8GAB_1 CTLA-4 binder (chains A, C)
SGSGNNLEEEVHKLLWELSEIYHHHDHEASHEALRRALEVLKQLLEHNNLEQAVTLVSIA
VHVAVRVNDEHVIRELRHFLRRLLKQVKEHNNNKLALLVMSVKMQLDRT

Sequence of entity 2 (B, D), FASTA

>8GAB_2 Cytotoxic T-lymphocyte protein 4 (chains B, D)
KAMHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNEL
TFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPE
PCPDSD

Primary citation

Design of High Affinity Binders to Convex Protein Target Sites. Yang, W., Hicks, D.R., Ghosh, A. et al. bioRxiv (2024). DOI 10.1101/2024.05.01.592114 · 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
1I8L 3.0 Å, Human B7-1/CTLA-4 co-stimulatory complex

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