8THK

Cryo-EM structure of A61603-bound alpha-1A-adrenergic receptor in complex with heterotrimeric Gq-protein

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,Guanine nucleotide-binding protein G(q) subunit alpha	polymer	246	28084.8	1	UniProt (P04899) UniProt (P63092) UniProt (P50148) Pfam (PF00503) In PDB	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein,Adenylate cyclase-stimulating G alpha protein,Guanine nucleotide-binding protein alpha-q
2	B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	358	39418.1	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (human)	Transducin beta chain 1
3	G	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631) In PDB	Homo sapiens (human)	G gamma-I
4	F	Single fab chain (scFv16)	polymer	267	28668.9	1		Homo sapiens
5	R	Endolysin,Alpha-1A adrenergic receptor	polymer	503	56485.2	1	UniProt (P00720) UniProt (P35348) Pfam (PF00959) Pfam (PF00001) In PDB	Enterobacteria phage T4 (Bacteriophage T4)	Lysis protein,Lysozyme,Muramidase,Alpha-1A adrenoreceptor,Alpha-1A adrenoceptor,Alpha-1C adrenergic receptor,Alpha-adrenergic receptor 1c
6	R	N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide	non-polymer		309.4	1	Chemie (CGZ)

Sequence modifications

A: 1 - 57 (UniProt: P04899)

PDB	External Database	Details
Ser 3	Cys 3	conflict
Arg 31	Ala 31	conflict
Thr 33	Glu 33	conflict
Leu 34	Val 34	conflict
Arg 35	Lys 35	conflict
Asp 42	Gly 42	conflict
Asn 43	Glu 43	conflict
Arg 54	Lys 54	conflict
Leu 56	Ile 56	conflict
Gly 58	-	linker
Gly 59	-	linker
Ser 60	-	linker
Gly 61	-	linker
Gly 62	-	linker
Ser 63	-	linker
Gly 64	-	linker
Gly 65	-	linker

A: 66 - 235 (UniProt: P63092)

PDB	External Database	Details
Asp 111	Ala 249	conflict
Asp 114	Ser 252	conflict
-	Asn 254	deletion
-	Met 255	deletion
-	Val 256	deletion
-	Ile 257	deletion
-	Arg 258	deletion
-	Glu 259	deletion
-	Asp 260	deletion
-	Asn 261	deletion
-	Gln 262	deletion
-	Thr 263	deletion
Asp 124	Leu 272	conflict
Lys 195	Asp 343	conflict
Val 198	Leu 346	conflict
Asp 199	Arg 347	conflict
Ile 210	Tyr 358	conflict
Ala 224	Ile 372	conflict
Ile 227	Val 375	conflict
Lys 232	Arg 380	conflict

A: 236 - 246 (UniProt: P50148)

PDB	External Database	Details
Met 238	Leu 351	conflict
Arg 241	Lys 354	conflict

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	expression tag
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: -148 - 11 (UniProt: P00720)

PDB	External Database	Details
Met -172	-	initiating methionine
Lys -171	-	expression tag
Thr -170	-	expression tag
Ile -169	-	expression tag
Ile -168	-	expression tag
Ala -167	-	expression tag
Leu -166	-	expression tag
Ser -165	-	expression tag
Tyr -164	-	expression tag
Ile -163	-	expression tag
Phe -162	-	expression tag
Cys -161	-	expression tag
Leu -160	-	expression tag
Val -159	-	expression tag
Phe -158	-	expression tag
Ala -157	-	expression tag
Asp -156	-	expression tag
Tyr -155	-	expression tag
Lys -154	-	expression tag
Asp -153	-	expression tag
Asp -152	-	expression tag
Asp -151	-	expression tag
Asp -150	-	expression tag
Lys -149	-	expression tag
Gly -138	Arg 12	conflict
Thr -96	Cys 54	conflict
Ala -53	Cys 97	conflict
Arg -13	Ile 137	conflict
Ala 12	-	linker
Ala 13	-	linker
Ala 14	-	linker

R: 15 - 350 (UniProt: P35348)

PDB	External Database	Details
-	Asp 228	deletion
-	Ser 229	deletion
-	Glu 230	deletion
-	Gln 231	deletion
-	Val 232	deletion
-	Thr 233	deletion
-	Leu 234	deletion
-	Arg 235	deletion
-	Ile 236	deletion
-	His 237	deletion
-	Arg 238	deletion
-	Lys 239	deletion
-	Asn 240	deletion
-	Ala 241	deletion
-	Pro 242	deletion
-	Ala 243	deletion
-	Gly 244	deletion
-	Gly 245	deletion
-	Ser 246	deletion
-	Gly 247	deletion
-	Met 248	deletion
-	Ala 249	deletion
-	Ser 250	deletion
-	Ala 251	deletion
-	Lys 252	deletion
-	Thr 253	deletion
-	Lys 254	deletion
-	Thr 255	deletion
Ala 351	-	expression tag
Ser 352	-	expression tag
Leu 353	-	expression tag
Glu 354	-	expression tag
Val 355	-	expression tag
Leu 356	-	expression tag
Phe 357	-	expression tag
Gln 358	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	160518.2
Non-Polymers*	Number of molecules	1
	Total formula weight	309.4
All*	Total formula weight	160827.6

*Water molecules are not included.