8JLO

Ulotaront(SEP-363856)-bound hTAAR1-Gs protein complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	polymer	394	45699.4	1	UniProt (P63092) Pfam (PF00503)	Homo sapiens (human)	Adenylate cyclase-stimulating G alpha protein
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	356	39141.8	1	UniProt (P62873) Pfam (PF25391)	Homo sapiens (human)	Transducin beta chain 1
3	C (R)	Soluble cytochrome b562,Trace amine-associated receptor 1	polymer	470	54128.1	1	UniProt (P0ABE7) UniProt (Q96RJ0) Pfam (PF00001)	Escherichia coli	Cytochrome b-562
4	D (Y)	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	E (R)	1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine	non-polymer		183.3	1	Chemie (UJL)

Sequence modifications

A: 1 - 394 (UniProt: P63092)

PDB	External Database	Details
Asn 54	Ser 54	variant
Ala 226	Gly 226	variant
Ala 268	Glu 268	variant
Lys 271	Asn 271	variant
Asp 274	Lys 274	variant
Lys 280	Arg 280	variant
Asp 284	Thr 284	variant
Thr 285	Ile 285	variant
Ser 366	Ala 366	variant

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -15	-	initiating methionine
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

R: -105 - 0 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -130	-	expression tag
Tyr -129	-	expression tag
Lys -128	-	expression tag
Asp -127	-	expression tag
Asp -126	-	expression tag
Asp -125	-	expression tag
Asp -124	-	expression tag
Lys -123	-	expression tag
His -122	-	expression tag
His -121	-	expression tag
His -120	-	expression tag
His -119	-	expression tag
His -118	-	expression tag
His -117	-	expression tag
His -116	-	expression tag
His -115	-	expression tag
His -114	-	expression tag
His -113	-	expression tag
Glu -112	-	expression tag
Asn -111	-	expression tag
Leu -110	-	expression tag
Tyr -109	-	expression tag
Phe -108	-	expression tag
Gln -107	-	expression tag
Gly -106	-	expression tag
Trp -99	Met 29	engineered mutation
Ile -4	His 124	engineered mutation
Leu 0	Arg 128	engineered mutation

R: 1 - 339 (UniProt: Q96RJ0)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	146830.5
Non-Polymers*	Number of molecules	1
	Total formula weight	183.3
All*	Total formula weight	147013.8

*Water molecules are not included.