8HNN: CXCR3

Structure of CXCR3 complexed with antagonist SCH546738. Determined by electron microscopy at 3.6 Å resolution. Released 29 Nov 2023.

Method: Electron microscopy
Resolution: 3.6 Å
Organisms: Lama glama, Escherichia coli, Homo sapiens
Chains: 2
Atoms: 3,063
Mol. weight: 75.87 kDa
Ligands: 43I, CLR
Released: 29 Nov 2023

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

Secondary structure: helices and β-sheets

8HNN contains 10 α-helices and 13 β-strands across 2 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 N: 1 helix, 11 β-strands

Element	Residues	Length	Sheet
β-strand	4-9	6	1
β-strand	20-28	9	1
β-strand	32-39	8	2
β-strand	49-53	5	2
β-strand	59-61	3	2
β-strand	70-74	5	1
β-strand	79-84	6	1
α-helix	89-91	3
β-strand	93-95	3	3
β-strand	96-102	7	2
β-strand	110-111	2	2
β-strand	117-119	3	3

Chain R: 9 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	55-79	25
α-helix	87-104	18
α-helix	106-114	9
α-helix	121-150	30
α-helix	151-155	5
α-helix	167-188	22
β-strand	190-191	2	4
β-strand	204-205	2	4
α-helix	212-243	32
α-helix	256-290	35
α-helix	301-328	28

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nb6	N	protein	169	Lama glama
Soluble cytochrome b562,C-X-C chemokine receptor type 3,Kappa-type opioid receptor	R	protein	507	Escherichia coli, Homo sapiens	P0ABE7 (AlphaFold model), P41145 (AlphaFold model), P49682 (AlphaFold model)

Sequence of entity 1 (N), FASTA

>8HNN_1 Nb6 (chains N)
MLLVNQSHQGFNKEHTSKMVSAIVLYVLLAAAAHSAFAMAQVQLQESGGGLVQAGESLRL
SCAASGTIFRLYDMGWYRRVSGNQRELVASITSGGSTKYGDSVKGRFTISRDNAKNTVYL
QMSSLKPEDTAVYYCNAEYRTGIWEELLDGWGQGTQVTVSSHHHHHHHH

Sequence of entity 2 (R), FASTA

>8HNN_2 Soluble cytochrome b562,C-X-C chemokine receptor type 3,Kappa-type opioid receptor (chains R)
MKTIIALSYIFCLVFADYKDDDDKGSADLEDNWETLNDNLKVIEKADNAAQVKDALTKMR
AAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQL
KTTRNAYIQKYLLVPRGSMVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPP
CPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLL
VLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRR
GPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVA
GFLLPLLVMAYCYAHILARLKSVRLLSGSREKDRNLRRITRLVVVVVVAFALCWTPYHLV
VLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLL
RLGCPNQRGLQRQPSSSRRDSSWSETS

Ligands and cofactors

ID	Name	Formula	Copies
43I	3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-eth…	C23 H31 Cl2 N7 O	1
CLR	Cholesterol	C27 H46 O	1

Primary citation

Structural insights into the activation and inhibition of CXC chemokine receptor 3. Jiao, H., Pang, B., Liu, A. et al. Nat Struct Mol Biol (2024) 31:610-620. DOI 10.1038/s41594-023-01175-5 · PubMed

Other PDB entries of the same protein (UniProt P0ABE7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6DYF 1.1 Å, Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y
5YO6 1.2 Å, Crystal Structure of B562RIL with engineered disulfide bond T9C-A36C
4JEA 1.22 Å, Crystal structure of an engineered Zn-RIDC1 construct with four interfacial disulfide…
7LSJ 1.26 Å, Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A,…
7MK4 1.27 Å, Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2
6DYC 1.33 Å, Co(II)-bound structure of the engineered cyt cb562 variant, CH3
5YO4 1.37 Å, Crystal Structure of B562RIL with engineered disulfide bond K27C-A79C
256B 1.4 Å, Improvement of the 2.5 Å resolution model of cytochrome B562 by redetermining the…
6OT4 1.4 Å, Bimetallic dodecameric cage design 2 (BMC2) from cytochrome cb562
7LRV 1.4 Å, Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in…
9PQ4 1.48 Å, Bi-bound structure of the H77C variant of TriCyt2
6DYG 1.49 Å, Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y

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