9C2F

Structure of Calcium-Sensing Receptor in complex with positive allosteric modulator '54149

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Extracellular calcium-sensing receptor	polymer	959	108023.1	1	UniProt (P41180) Pfam (PF01094) Pfam (PF07562) Pfam (PF00003)	Homo sapiens (human)	CaR,CaSR,hCasR,Parathyroid cell calcium-sensing receptor 1,PCaR1
2	B (B)	Extracellular calcium-sensing receptor	polymer	939	105938.8	1	UniProt (P41180) Pfam (PF01094) Pfam (PF07562) Pfam (PF00003)	Homo sapiens (human)	CaR,CaSR,hCasR,Parathyroid cell calcium-sensing receptor 1,PCaR1
3	C (H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D, K, L, N, O (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
5	E, F, G, M, Q... (A, B)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
6	H, P (A, B)	TRYPTOPHAN	non-polymer		204.2	2	Chemie (TRP)
7	I, U (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
8	J, V (A, B)	(1R)-1-(2H-1,3-benzodioxol-4-yl)-N-[2-(1,2-benzothiazol-3-yl)ethyl]ethan-1-amine	non-polymer		326.4	2	Chemie (A1ATX)

Sequence modifications

A: 19 - 894 (UniProt: P41180)

PDB	External Database	Details
Trp -13	-	expression tag
Ser -12	-	expression tag
His -11	-	expression tag
Pro -10	-	expression tag
Gln -9	-	expression tag
Phe -8	-	expression tag
Glu -7	-	expression tag
Lys -6	-	expression tag
Gly -5	-	expression tag
Gly -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Gly 1	-	expression tag
Ser 2	-	expression tag
Gly 3	-	expression tag
Gly 4	-	expression tag
Ser 5	-	expression tag
Ala 6	-	expression tag
Trp 7	-	expression tag
Ser 8	-	expression tag
His 9	-	expression tag
Pro 10	-	expression tag
Gln 11	-	expression tag
Phe 12	-	expression tag
Glu 13	-	expression tag
Lys 14	-	expression tag
Gly 15	-	expression tag
Ser 16	-	expression tag
Ala 17	-	expression tag
Ala 18	-	expression tag
Thr 895	-	expression tag
Gly 896	-	expression tag
Ser 897	-	expression tag
Ser 898	-	expression tag
Thr 899	-	expression tag
Asn 900	-	expression tag
Asn 901	-	expression tag
Asn 902	-	expression tag
Glu 903	-	expression tag
Glu 904	-	expression tag
Glu 905	-	expression tag
Lys 906	-	expression tag
Ser 907	-	expression tag
Arg 908	-	expression tag
Leu 909	-	expression tag
Leu 910	-	expression tag
Glu 911	-	expression tag
Lys 912	-	expression tag
Glu 913	-	expression tag
Asn 914	-	expression tag
Arg 915	-	expression tag
Glu 916	-	expression tag
Leu 917	-	expression tag
Glu 918	-	expression tag
Lys 919	-	expression tag
Ile 920	-	expression tag
Ile 921	-	expression tag
Ala 922	-	expression tag
Glu 923	-	expression tag
Lys 924	-	expression tag
Glu 925	-	expression tag
Glu 926	-	expression tag
Arg 927	-	expression tag
Val 928	-	expression tag
Ser 929	-	expression tag
Glu 930	-	expression tag
Leu 931	-	expression tag
Arg 932	-	expression tag
His 933	-	expression tag
Gln 934	-	expression tag
Leu 935	-	expression tag
Gln 936	-	expression tag
Ser 937	-	expression tag
Arg 938	-	expression tag
Gln 939	-	expression tag
Gln 940	-	expression tag
Leu 941	-	expression tag
Lys 942	-	expression tag
Lys 943	-	expression tag
Thr 944	-	expression tag
Asn 945	-	expression tag

B: 19 - 894 (UniProt: P41180)

PDB	External Database	Details
Asp 9	-	expression tag
Tyr 10	-	expression tag
Lys 11	-	expression tag
Asp 12	-	expression tag
Asp 13	-	expression tag
Asp 14	-	expression tag
Asp 15	-	expression tag
Lys 16	-	expression tag
Ala 17	-	expression tag
Ala 18	-	expression tag
Thr 895	-	expression tag
Ser 896	-	expression tag
Thr 897	-	expression tag
Ser 898	-	expression tag
Val 899	-	expression tag
Thr 900	-	expression tag
Ser 901	-	expression tag
Val 902	-	expression tag
Asn 903	-	expression tag
Gln 904	-	expression tag
Ala 905	-	expression tag
Ser 906	-	expression tag
Thr 907	-	expression tag
Ser 908	-	expression tag
Arg 909	-	expression tag
Leu 910	-	expression tag
Glu 911	-	expression tag
Gly 912	-	expression tag
Leu 913	-	expression tag
Gln 914	-	expression tag
Ser 915	-	expression tag
Glu 916	-	expression tag
Asn 917	-	expression tag
His 918	-	expression tag
Arg 919	-	expression tag
Leu 920	-	expression tag
Arg 921	-	expression tag
Met 922	-	expression tag
Lys 923	-	expression tag
Ile 924	-	expression tag
Thr 925	-	expression tag
Glu 926	-	expression tag
Leu 927	-	expression tag
Asp 928	-	expression tag
Lys 929	-	expression tag
Asp 930	-	expression tag
Leu 931	-	expression tag
Glu 932	-	expression tag
Glu 933	-	expression tag
Val 934	-	expression tag
Thr 935	-	expression tag
Met 936	-	expression tag
Gln 937	-	expression tag
Leu 938	-	expression tag
Gln 939	-	expression tag
Asp 940	-	expression tag
Thr 941	-	expression tag
Pro 942	-	expression tag
Glu 943	-	expression tag
Lys 944	-	expression tag
Lys 945	-	expression tag
Thr 946	-	expression tag
Asn 947	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	213961.8
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	19
	Total formula weight	2677.9
All*	Total formula weight	217064.1

*Water molecules are not included.