3N7S

Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Calcitonin gene-related peptide type 1 receptor	polymer	115	13431.7	2	UniProt (Q16602) Pfam (PF02793) In PDB	Homo sapiens (human)	CGRP type 1 receptor, Calcitonin receptor-like receptor
2	C, D	Receptor activity-modifying protein 1	polymer	96	11002.5	2	UniProt (O60894) Pfam (PF04901) In PDB	Homo sapiens (human)	Calcitonin-receptor-like receptor activity-modifying protein 1, CRLR activity-modifying protein 1
3	A	N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide	non-polymer		869.6	1	Chemie (3N6)
4	B	N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-1H-indazol-5-yl-6-methylpyrimidine-2,4-diamine	non-polymer		346.4	1	Chemie (3N7)
5	C	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	131	Chemie (HOH)

Sequence modifications

A, B: 23 - 133 (UniProt: Q16602)

PDB	External Database	Details
Gly 19	-	expression tag
Ser 20	-	expression tag
His 21	-	expression tag
Met 22	-	expression tag

C, D: 26 - 117 (UniProt: O60894)

PDB	External Database	Details
Gly 22	-	expression tag
Ser 23	-	expression tag
His 24	-	expression tag
Met 25	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	48868.4
Non-Polymers*	Number of molecules	3
	Total formula weight	1312.1
All*	Total formula weight	50180.5

*Water molecules are not included.