8JLK

Ulotaront(SEP-363856)-bound mTAAR1-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)	mGs	polymer	361	41879.5	1	Pfam (PF00503) UniProt (by SIFTS) (P63096) UniProt (by SIFTS) (P63092)	Homo sapiens
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	358	39418.1	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
3	C (R)	Soluble cytochrome b562,Trace amine-associated receptor 1	polymer	446	50420.7	1	UniProt (P0ABE7) UniProt (Q923Y8) Pfam (PF07361) Pfam (PF00001)	Escherichia coli	Cytochrome b-562
4	D (S)	ScFv16	polymer	251	26709.7	1		Mus musculus
5	E (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
6	F (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

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	initiating methionine
His -16	-	expression tag
His -15	-	expression tag
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 -113	-	expression tag
Tyr -112	-	expression tag
Lys -111	-	expression tag
Asp -110	-	expression tag
Asp -109	-	expression tag
Asp -108	-	expression tag
Asp -107	-	expression tag
Lys -106	-	expression tag
Trp -99	Met 29	engineered mutation
Ile -4	His 124	engineered mutation
Leu 0	Arg 128	engineered mutation

R: 1 - 332 (UniProt: Q923Y8)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	166289.2
Non-Polymers*	Number of molecules	1
	Total formula weight	183.3
All*	Total formula weight	166472.4

*Water molecules are not included.