8ZWF: JR14a bound C3aR-BRIL-BAG2 complex

cryoEM structure of JR14a bound C3aR-BRIL-BAG2 complex. Determined by electron microscopy at 3.0 Å resolution. Released 14 May 2025.

Method: Electron microscopy
Resolution: 3.0 Å
Organisms: Homo sapiens, Escherichia coli
Chains: 3
Atoms: 6,207
Mol. weight: 123.02 kDa
Ligands: A1D9A
Released: 14 May 2025

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

Secondary structure: helices and β-sheets

8ZWF contains 28 α-helices and 41 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: 18 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	21-50	30
α-helix	56-72	17
α-helix	75-83	9
α-helix	92-125	34
α-helix	127-133	7
α-helix	136-160	25
β-strand	162	1	1
β-strand	173	1	1
α-helix	334-340	7
α-helix	341-346	6
α-helix	347-384	38
α-helix	390-408	19
α-helix	427-447	21
α-helix	451-459	9
α-helix	461-464	4
α-helix	465-469	5
α-helix	470-509	40
α-helix	516-538	23
α-helix	540-543	4
α-helix	548-557	10

Chain C: 4 helices, 19 β-strands

Element	Residues	Length	Sheet
β-strand	5-6	2	2
β-strand	11-14	4	3
β-strand	20-26	7	2
β-strand	34-39	6	3
β-strand	46-50	5	3
β-strand	54-55	2	3
α-helix	56	1
β-strand	63-68	6	2
β-strand	71-76	6	2
β-strand	86-91	6	3
α-helix	95-97	3
β-strand	99-100	2	3
β-strand	104-108	5	3
β-strand	117-120	4	4
α-helix	124-129	6
β-strand	131-141	11	4
β-strand	148-152	5	5
β-strand	156-157	2	5
β-strand	162-166	5	4
β-strand	175-184	10	4
α-helix	185-189	5
β-strand	193-198	6	5
β-strand	207-212	6	5

Chain D: 6 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	6-9	4	6
β-strand	13-15	3	7
β-strand	18-28	11	6
α-helix	32-34	3
β-strand	36-42	7	8
β-strand	48-54	7	8
β-strand	61-63	3	8
β-strand	71-76	6	6
β-strand	81-89	9	6
α-helix	91-93	3
β-strand	95-97	3	7
β-strand	98-102	5	8
α-helix	108-110	3
β-strand	121-125	5	7
β-strand	134-138	5	9
β-strand	152-159	8	9
β-strand	165-168	4	10
α-helix	169-171	3
β-strand	173	1	10
β-strand	178-179	2	9
α-helix	180-182	3
β-strand	183-184	2	9
β-strand	190-196	7	9
α-helix	200-203	4
β-strand	208-214	7	10
β-strand	219-225	7	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Beta-2 adrenergic receptor,C3a anaphylatoxin chemotactic receptor,Soluble cytochrome b562	A	protein	646	Homo sapiens, Escherichia coli	Q16581 (AlphaFold model)
anti-BRIL Fab LC	C	protein	235	Homo sapiens
anti-BRIL Fab HC	D	protein	229	Homo sapiens

Sequence of entity 1 (A), FASTA

>8ZWF_1 Beta-2 adrenergic receptor,C3a anaphylatoxin chemotactic receptor,Soluble cytochrome b562 (chains A)
DYKDDDDVDMGQPGNGSAFLLAPNGSHAPDHDVTQQRDEENLYFQGASMASFSAETNSTD
LLSQPWNEPPVILSMVILSLTFLLGLPGNGLVLWVAGLKMQRTVNTIWFLHLTLADLLCC
LSLPFSLAHLALQGQWPYGRFLCKLIPSIIVLNMFASVFLLTAISLDRCLVVFKPIWCQN
HRNVGMACSICGCIWVVAFVMCIPVFVYREIFTTDNHNRCGYKFGLSSSLDYPDFYGDPL
ENRSLENIVQPPGEMNDRLDPSSFQTNDHPWTVPTVFQPQTFQRPSADSLPRGSARLTSQ
NLYSNVFKPADVVSPKIPSGFPIEDHETSPLDNSDAFLSTHLKLFPSASSNSFYESELPQ
GFQDYYNLGQFTDDDQVPTPLVAITITRLVVGFLLPSVIMIACYSFIVFRARRQLADLED
NWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGF
DILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLERARSTLSKTFRVAVVVVA
VFLVCWTPYHIFGVLSLLTDPETPLGKTLMSWDHVCIALASANSCFNPFLYALLGKDFRK
KARQSIQGILEAAFSEELTRSTHCPSNNVISERNSTTVHHHHHHHH

Sequence of entity 2 (C), FASTA

>8ZWF_2 anti-BRIL Fab LC (chains C)
SDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVP
SRFSGSRSGTDFTLTISSLQPEDFATYYCQQYLYYSLVTFGQGTKVEIKRTVAAPSVFIF
PPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSST
LTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECVDENLYFQGASHHHHHHHH

Sequence of entity 3 (D), FASTA

>8ZWF_3 anti-BRIL Fab HC (chains D)
EISEVQLVESGGGLVQPGGSLRLSCAASGFNVVDFSLHWVRQAPGKGLEWVAYISSSSGS
TSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARWGYWPGEPWWKAFDYWGQG
TLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTF
PAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS

Ligands and cofactors

ID	Name	Formula	Copies
A1D9A	(2~{S})-5-[bis(azanyl)methylideneamino]-2-[[5-[bis(4-chlorophenyl)methyl]-3-met…	C25 H26 Cl2 N4 O3 S	1

Primary citation

Structural insights into the agonist activity of the nonpeptide modulator JR14a on C3aR. Luo, P., Xin, W., Guo, S. et al. Cell Discov (2025) 11:7-7. DOI 10.1038/s41421-024-00765-x · PubMed

Other PDB entries of the same protein (UniProt Q16581 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9IPV 2.53 Å, Structure of JR14a-C3aR-Gi-scFv16 complex
9KVP 2.79 Å, Structure of SB290157 bound to human C3aR in complex with Go (Full map)
9KVS 2.81 Å, Structure of SB290157 bound to human C3aR in complex with Go (Receptor Ligand Focused map)
8IA8 2.86 Å, Cryo-EM structure of C3aR-Gi-scFv16 bound with E7 peptide
8ZWG 2.87 Å, cryoEM structure of JR14a bound C3aR-Gi complex
8I95 2.88 Å, Structure of EP54-C3aR-Go complex
8HK2 2.9 Å, C3aR-Gi-C3a protein complex
8J6D 3.1 Å, Structure of EP141-C3aR-Go complex
8I9L 3.18 Å, Structure of C3a-C3aR-Go complex (Composite map)
8I97 3.19 Å, Structure of Apo-C3aR-Go complex (Glacios)
8HK3 3.2 Å, C3aR-Gi-apo protein complex
8I9S 3.26 Å, Structure of Apo-C3aR-Go complex (Titan)

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