7ELX: CTLA-4 and Fab

The crystal structure of CTLA-4 and Fab. Determined by X-ray diffraction at 2.14 Å resolution. Released 30 Jun 2021.

Method: X-ray diffraction
Resolution: 2.14 Å
Organism: Homo sapiens
Chains: 6
Atoms: 8,836
Mol. weight: 181.35 kDa
Released: 30 Jun 2021

Explore 7ELX in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7ELX contains 39 α-helices and 110 β-strands across 6 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 c: 2 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	4-6	3	25
β-strand	10-12	3	21
β-strand	19-26	8	25
β-strand	33-42	10	21
β-strand	45-55	11	21
β-strand	60-61	2	21
β-strand	68-73	6	25
β-strand	76-81	6	25
α-helix	86-88	3
β-strand	90-100	11	21
α-helix	104	1
β-strand	105-108	4	21
β-strand	112-115	4	21

Chain C: 2 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	4-6	3	26
β-strand	10-12	3	9
α-helix	13-14	2
β-strand	19-26	8	26
β-strand	33-42	10	9
β-strand	45-55	11	9
β-strand	68-73	6	26
β-strand	76-81	6	26
β-strand	90-100	11	9
α-helix	104	1
β-strand	105-108	4	9
β-strand	112-115	4	9

Chain h: 9 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	13
β-strand	10-12	3	14
β-strand	18-25	8	13
α-helix	29-31	3
β-strand	34-39	6	14
β-strand	45-51	7	14
β-strand	58-60	3	14
β-strand	68-73	6	13
α-helix	74-76	3
β-strand	78-83	6	13
α-helix	88-90	3
β-strand	92-99	8	14
α-helix	100	1
β-strand	105-108	4	14
β-strand	112-116	5	14
β-strand	122	1	15
α-helix	123-124	2
β-strand	125-129	5	16
β-strand	141-150	10	16
β-strand	151	1	15
β-strand	156-159	4	17
α-helix	160-162	3
β-strand	168-170	3	16
α-helix	171-173	3
β-strand	174-175	2	16
β-strand	181-189	9	16
α-helix	191-193	3
β-strand	194	1	18
β-strand	197	1	18
β-strand	199-205	7	17
α-helix	206-208	3
β-strand	210-216	7	17

Chain H: 8 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	1
β-strand	10-12	3	2
β-strand	18-25	8	1
α-helix	29-31	3
β-strand	34-39	6	2
β-strand	46-51	6	2
β-strand	58-60	3	2
β-strand	68-73	6	1
β-strand	78-83	6	1
α-helix	88-90	3
β-strand	92-99	8	2
α-helix	100	1
β-strand	105-108	4	2
β-strand	112-116	5	2
β-strand	122	1	3
α-helix	123-124	2
β-strand	125-129	5	4
β-strand	141-150	10	4
β-strand	151	1	3
β-strand	156-159	4	5
α-helix	160-162	3
β-strand	168-170	3	4
α-helix	171-173	3
β-strand	174-175	2	4
β-strand	181-189	9	4
α-helix	191-193	3
β-strand	194	1	6
β-strand	197	1	6
β-strand	199-205	7	5
α-helix	206-208	3
β-strand	210-216	7	5

Chain l: 9 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	19
β-strand	10-13	4	20
β-strand	19-29	11	19
α-helix	31-33	3
β-strand	34-39	6	20
β-strand	46-50	5	20
β-strand	54-55	2	20
α-helix	56	1
β-strand	63-76	14	19
α-helix	81-83	3
β-strand	85-91	7	20
β-strand	94	1	21
α-helix	97	1
β-strand	98-99	2	20
β-strand	103-107	5	20
β-strand	112	1	22
α-helix	113-114	2
β-strand	115-119	5	23
α-helix	120-122	3
α-helix	123-126	4
β-strand	130-140	11	23
β-strand	141	1	22
β-strand	146-151	6	24
β-strand	154-155	2	24
β-strand	160-164	5	23
α-helix	165-168	4
β-strand	174-183	10	23
α-helix	184-187	4
β-strand	192-198	7	24
β-strand	206-211	6	24

Chain L: 9 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	7
β-strand	10-13	4	8
β-strand	19-25	7	7
α-helix	31-33	3
β-strand	34-39	6	8
β-strand	46-50	5	8
β-strand	54-55	2	8
α-helix	56	1
β-strand	63-68	6	7
β-strand	71-76	6	7
α-helix	81-83	3
β-strand	86-91	6	8
β-strand	94	1	9
α-helix	97	1
β-strand	98-99	2	8
β-strand	103-107	5	8
β-strand	112	1	10
α-helix	113-114	2
β-strand	115-119	5	11
α-helix	120-122	3
α-helix	123-128	6
β-strand	130-140	11	11
β-strand	141	1	10
β-strand	146-151	6	12
β-strand	154-155	2	12
β-strand	160-164	5	11
α-helix	165-168	4
β-strand	174-183	10	11
α-helix	184-187	4
β-strand	192-198	7	12
β-strand	206-211	6	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
heavy chain of Fab	H, h	protein	467	Homo sapiens
light chain of Fab	L, l	protein	235	Homo sapiens
Cytotoxic T-lymphocyte protein 4	C, c	protein	126	Homo sapiens	P16410 (AlphaFold model)

Sequence of entity 1 (H, h), FASTA

>7ELX_1 heavy chain of Fab (chains H, h)
MEFGLSWVFLVALLRGVQCQVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAP
GKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGW
LGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNS
GALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC
DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVD
GVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAK
GQPREPQVYTLPPSRDELTKVQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDS
DGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK

Sequence of entity 2 (L, l), FASTA

>7ELX_2 light chain of Fab (chains L, l)
METPAQLLFLLLLWLPDSTGEIVLTQSPGTLSLSPGERATLSCRASQSVGSSYLAWYQQK
PGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFG
QGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNS
QESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Sequence of entity 3 (C, c), FASTA

>7ELX_3 Cytotoxic T-lymphocyte protein 4 (chains C, c)
KAMHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNEL
TFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPE
PCPDSD

Primary citation

The crystal structure of CTLA-4 and Fab. Yu, X.J., Yu, C.F. To be published.

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…
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
1I8L 3.0 Å, Human B7-1/CTLA-4 co-stimulatory complex

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