7Y67

Cryo-EM structure of C089-bound C5aR1(I116A) mutant in complex with Gi protein

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40414.0	1	UniProt (P63096) Pfam (PF00503)	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	356	39141.8	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
3	C (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631)	Homo sapiens (human)	G gamma-I
4	D (D)	C5a anaphylatoxin chemotactic receptor 1	polymer	339	38373.2	1	UniProt (P21730) Pfam (PF00001)	Homo sapiens (human)	C5a anaphylatoxin chemotactic receptor,C5a-R,C5aR
5	E (S)	scFv16	polymer	267	28768.0	1		Mus musculus (house mouse)
6	F (L)	C089 peptide	polymer	6	902.1	1		synthetic construct

Sequence modifications

A: 1 - 354 (UniProt: P63096)

PDB	External Database	Details
Asn 47	Ser 47	conflict
Ala 203	Gly 203	conflict
Ala 245	Glu 245	conflict
Ser 326	Ala 326	conflict

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -15	-	initiating methionine
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

D: 1 - 330 (UniProt: P21730)

PDB	External Database	Details
Ala 116	Ile 116	engineered mutation
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag
His 334	-	expression tag
His 335	-	expression tag
His 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	155460.3
All*	Total formula weight	155460.3

*Water molecules are not included.