7OR1

Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Transient receptor potential cation channel subfamily A member 1	polymer	1126	128455.3	4	UniProt (O75762) Pfam (PF00023) Pfam (PF00520)	Homo sapiens (Human)	Ankyrin-like with transmembrane domains protein 1,Transformation-sensitive protein p120,Wasabi receptor
2	E, F, G, H (E, F, G, H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
3	CA, I, O, V (D, A, B, C)	~{N}-[4-[4-[(azanylidene-$l^{4}-azanylidene)amino]phenyl]-1,3-thiazol-2-yl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide	non-polymer		438.4	4	Chemie (0IG)
4	DA, EA, J, K, P... (D, A, B, C)	1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE	non-polymer		790.1	8	Chemie (PC1)
5	FA, L, R, U, Y (D, A, B, C)	CALCIUM ION	non-polymer		40.1	5	Chemie (CA)
6	GA, M, S, Z (D, A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
7	AA, BA, N, T (C, D, A, B)	INOSITOL HEXAKISPHOSPHATE	non-polymer		660.0	4	Chemie (IHP)
8	HA, IA, JA, KA (A, B, C, D)	water	water		18.0	52	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 1119 (UniProt: O75762)

PDB	External Database	Details
Thr 58	Arg 58	variant
Asn 186	Lys 186	variant
Ala 1120	-	expression tag
Glu 1121	-	expression tag
Asn 1122	-	expression tag
Leu 1123	-	expression tag
Tyr 1124	-	expression tag
Phe 1125	-	expression tag
Gln 1126	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	513821.3
Branched	Number of molecules	4
	Total formula weight	1697.6
Non-Polymers*	Number of molecules	25
	Total formula weight	11800.3
All*	Total formula weight	527319.2

*Water molecules are not included.