8WPU

Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Extracellular calcium-sensing receptor,calcium-sensing receptor	polymer	1076	120641.6	2	UniProt (P41180) Pfam (PF01094) Pfam (PF07562) Pfam (PF00003)	Homo sapiens (human)	CaR,CaSR,hCasR,Parathyroid cell calcium-sensing receptor 1,PCaR1
2	C (G)	G subunit q (Gi2-mini-Gq chimeric)	polymer	246	28084.8	1	Pfam (PF00503) UniProt (by SIFTS) (P04899) UniProt (by SIFTS) (P63092)	Homo sapiens
3	D (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	376	40924.7	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)
4	E (D)	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
5	F (E)	ScFv16	polymer	297	31870.6	1		Rattus norvegicus
6	G, H (F, H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
7	I, J, K, L, T... (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	9	Chemie (NAG)
8	BA, M (A, B)	N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine	non-polymer		357.4	2	Chemie (YP4)
9	N, Y (B, A)	TRYPTOPHAN	non-polymer		204.2	2	Chemie (TRP)
10	O, P, S, Z (B, A)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
11	AA, Q (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
12	R (B)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)

Sequence modifications

B, A: 20 - 892 (UniProt: P41180)

PDB	External Database	Details
Met -10	-	initiating methionine
Lys -9	-	expression tag
Thr -8	-	expression tag
Ile -7	-	expression tag
Ile -6	-	expression tag
Ala -5	-	expression tag
Leu -4	-	expression tag
Ser -3	-	expression tag
Tyr -2	-	expression tag
Ile -1	-	expression tag
Phe 0	-	expression tag
Cys 1	-	expression tag
Leu 2	-	expression tag
Val 3	-	expression tag
Phe 4	-	expression tag
Ala 5	-	expression tag
Asp 6	-	expression tag
Tyr 7	-	expression tag
Lys 8	-	expression tag
Asp 9	-	expression tag
Asp 10	-	expression tag
Asp 11	-	expression tag
Asp 12	-	expression tag
Glu 13	-	expression tag
Asn 14	-	expression tag
Leu 15	-	expression tag
Tyr 16	-	expression tag
Phe 17	-	expression tag
Gln 18	-	expression tag
Gly 19	-	expression tag

B, A: 893 - 1065 (PDB: 8WPU)
C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Leu -1	-	expression tag
Leu 0	-	expression tag
Gln 1	-	expression tag
Gly 341	-	expression tag
Ser 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
Gly 351	-	expression tag
Gly 352	-	expression tag
Ser 353	-	expression tag
Ser 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	6
	Total formula weight	350024.5
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	20
	Total formula weight	3851.1
All*	Total formula weight	354724.4

*Water molecules are not included.