8IHJ

Cryo-EM structure of HCA3-Gi complex with acifran

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	R	Soluble cytochrome b562,Hydroxycarboxylic acid receptor 3	polymer	530	60749.4	1	UniProt (P0ABE7) UniProt (P49019) Pfam (PF07361) Pfam (PF00001) In PDB	Escherichia coli	Cytochrome b-562,G-protein coupled receptor 109B,G-protein coupled receptor HM74,G-protein coupled receptor HM74B,Niacin receptor 2,Nicotinic acid receptor 2
2	A	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40446.0	1	UniProt (P63096) Pfam (PF00503) In PDB	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
3	S	scFv16	polymer	248	26496.5	1		synthetic construct
4	B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	382	41772.6	1	UniProt (P62874) Pfam (PF00400) In PDB	Mus musculus (house mouse)
5	C	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	70	7729.9	1	UniProt (P63213) Pfam (PF00631) In PDB	Mus musculus (house mouse)	G gamma-I
6	R	(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid	non-polymer		218.2	1	Chemie (P9X)

Sequence modifications

R: -104 - 0 (UniProt: P0ABE7)

PDB	External Database	Details
Met -128	-	initiating methionine
Lys -127	-	expression tag
Thr -126	-	expression tag
Ile -125	-	expression tag
Ile -124	-	expression tag
Ala -123	-	expression tag
Leu -122	-	expression tag
Ser -121	-	expression tag
Tyr -120	-	expression tag
Ile -119	-	expression tag
Phe -118	-	expression tag
Cys -117	-	expression tag
Leu -116	-	expression tag
Val -115	-	expression tag
Phe -114	-	expression tag
Ala -113	-	expression tag
Asp -112	-	expression tag
Tyr -111	-	expression tag
Lys -110	-	expression tag
Asp -109	-	expression tag
Asp -108	-	expression tag
Asp -107	-	expression tag
Asp -106	-	expression tag
Lys -105	-	expression tag
Trp -98	Met 29	engineered mutation
Ile -3	His 124	engineered mutation
Leu 1	-	linker

R: 2 - 387 (UniProt: P49019)

PDB	External Database	Details
Glu 388	-	expression tag
Asn 389	-	expression tag
Leu 390	-	expression tag
Tyr 391	-	expression tag
Phe 392	-	expression tag
Gln 393	-	expression tag
Gly 394	-	expression tag
Ser 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag
His 399	-	expression tag
His 400	-	expression tag
His 401	-	expression tag

A: 1 - 354 (UniProt: P63096)

PDB	External Database	Details
Ala 203	Gly 203	engineered mutation
Ala 219	Thr 219	conflict
Gln 288	Pro 288	conflict
Ser 326	Ala 326	engineered mutation

B: 2 - 340 (UniProt: P62874)

PDB	External Database	Details
Met -15	-	initiating methionine
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Gly 341	-	expression tag
Gly 342	-	expression tag
Ser 343	-	expression tag
Gly 344	-	expression tag
Gly 345	-	expression tag
Gly 346	-	expression tag
Gly 347	-	expression tag
Ser 348	-	expression tag
Gly 349	-	expression tag
Gly 350	-	expression tag
Ser 351	-	expression tag
Ser 352	-	expression tag
Ser 353	-	expression tag
Gly 354	-	expression tag
Gly 355	-	expression tag
Val 356	-	expression tag
Ser 357	-	expression tag
Gly 358	-	expression tag
Trp 359	-	expression tag
Arg 360	-	expression tag
Leu 361	-	expression tag
Phe 362	-	expression tag
Lys 363	-	expression tag
Lys 364	-	expression tag
Ile 365	-	expression tag
Ser 366	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	177194.5
Non-Polymers*	Number of molecules	1
	Total formula weight	218.2
All*	Total formula weight	177412.7

*Water molecules are not included.