7SK9

Cryo-EM structure of human ACKR3 in complex with a small molecule partial agonist CCX662, and an intracellular Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Atypical chemokine receptor 3	polymer	393	45196.4	1	UniProt (P25106) Pfam (PF00001)	Homo sapiens (human)	C-X-C chemokine receptor type 7,CXC-R7,CXCR-7,Chemokine orphan receptor 1,G-protein coupled receptor 159,G-protein coupled receptor RDC1 homolog,RDC-1
2	B (F)	CID24 Fab heavy chain	polymer	238	25380.2	1		Homo sapiens
3	C (E)	CID24 Fab light chain	polymer	215	23471.0	1		Homo sapiens
4	D (A)	(1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium	non-polymer		540.7	1	Chemie (GJ9)
5	E, F (A)	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR)

Sequence modifications

A: 2 - 362 (UniProt: P25106)

PDB	External Database	Details
Gly -1	-	cloning artifact
Ala 0	-	cloning artifact
Pro 1	-	cloning artifact
Gly 363	-	expression tag
Arg 364	-	expression tag
Pro 365	-	expression tag
Leu 366	-	expression tag
Glu 367	-	expression tag
Val 368	-	expression tag
Leu 369	-	expression tag
Phe 370	-	expression tag
Gln 371	-	expression tag
Gly 372	-	expression tag
Pro 373	-	expression tag
His 374	-	expression tag
His 375	-	expression tag
His 376	-	expression tag
His 377	-	expression tag
His 378	-	expression tag
His 379	-	expression tag
His 380	-	expression tag
His 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
Asp 384	-	expression tag
Tyr 385	-	expression tag
Lys 386	-	expression tag
Asp 387	-	expression tag
Asp 388	-	expression tag
Asp 389	-	expression tag
Asp 390	-	expression tag
Lys 391	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	94047.7
Non-Polymers*	Number of molecules	3
	Total formula weight	1314.0
All*	Total formula weight	95361.7

*Water molecules are not included.