8QJ2

Structure of active state MC4R in complex with a potent ligand mimicking nanobody

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	polymer	394	45699.4	1	UniProt (P63092) Pfam (PF00503)	Homo sapiens (human)
2	B (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	350	38534.1	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)
3	C (G)	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
4	D (N)	Nanobody-35	polymer	138	15140.7	1		Lama glama
5	E (A)	Soluble cytochrome b562,Melanocortin receptor 4,Red fluorescent protein drFP583	polymer	729	82025.1	1	UniProt (P0ABE7) UniProt (P32245) UniProt (Q9U6Y8) Pfam (PF07361) Pfam (PF00001) Pfam (PF01353)	Escherichia coli	Cytochrome b-562,MC4-R,DsRed
6	F (D)	pN162	polymer	117	12655.2	1		Lama glama

Sequence modifications

B: 1 - 394 (UniProt: P63092)

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

C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -9	-	initiating methionine
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

A: -114 - -9 (UniProt: P0ABE7)

PDB	External Database	Details
Phe -124	-	expression tag
Ala -123	-	expression tag
Asp -122	-	expression tag
Tyr -121	-	expression tag
Lys -120	-	expression tag
Asp -119	-	expression tag
Asp -118	-	expression tag
Asp -117	-	expression tag
Asp -116	-	expression tag
Lys -115	-	expression tag
Trp -107	Met 29	engineered mutation
Ile -12	His 124	engineered mutation
Leu -8	-	linker
Leu -7	-	linker
Glu -6	-	linker
Val -5	-	linker
Leu -4	-	linker
Phe -3	-	linker
Gln -2	-	linker
Gly -1	-	linker
Pro 0	-	linker

A: 1 - 332 (UniProt: P32245)

PDB	External Database	Details
Leu 333	-	linker
Glu 334	-	linker
Val 335	-	linker
Leu 336	-	linker
Phe 337	-	linker
Gln 338	-	linker
Gly 339	-	linker
Pro 340	-	linker
Val 341	-	linker
Ser 342	-	linker
Lys 343	-	linker
Gly 344	-	linker
Glu 345	-	linker
Glu 346	-	linker
Asp 347	-	linker
Asn 348	-	linker
Met 349	-	linker
Ala 350	-	linker
Ile 351	-	linker

A: 352 - 565 (UniProt: Q9U6Y8)

PDB	External Database	Details
His 361	Arg 17	engineered mutation
Ser 365	Thr 21	engineered mutation
Thr 385	His 41	engineered mutation
Gln 386	Asn 42	engineered mutation
Ala 388	Val 44	engineered mutation
Met 410	Gln 66	engineered mutation
Ala 415	Val 71	engineered mutation
Leu 427	Lys 83	engineered mutation
Glu 461	Cys 117	engineered mutation
Leu 468	Phe 124	engineered mutation
Arg 469	Ile 125	engineered mutation
Thr 471	Val 127	engineered mutation
Ser 491	Thr 147	engineered mutation
Met 494	Leu 150	engineered mutation
Glu 497	Arg 153	engineered mutation
Ala 500	Val 156	engineered mutation
Lys 506	His 162	engineered mutation
Gln 507	Lys 163	engineered mutation
Arg 508	Ala 164	engineered mutation
Asp 518	Leu 174	engineered mutation
Ala 519	Val 175	engineered mutation
Val 521	Phe 177	engineered mutation
Thr 523	Ser 179	engineered mutation
Thr 524	Ile 180	engineered mutation
Lys 526	Met 182	engineered mutation
Ala 536	Tyr 192	engineered mutation
Asn 538	Tyr 194	engineered mutation
Asn 540	Asp 196	engineered mutation
Ile 541	Ser 197	engineered mutation
Ala 561	Thr 217	engineered mutation
Ser 566	-	expression tag
Thr 567	-	expression tag
Gly 568	-	expression tag
Gly 569	-	expression tag
Met 570	-	expression tag
Asp 571	-	expression tag
Glu 572	-	expression tag
Leu 573	-	expression tag
Tyr 574	-	expression tag
Lys 575	-	expression tag
His 576	-	expression tag
His 577	-	expression tag
His 578	-	expression tag
His 579	-	expression tag
His 580	-	expression tag
His 581	-	expression tag
His 582	-	expression tag
His 583	-	expression tag
His 584	-	expression tag
His 585	-	expression tag
Gly 586	-	expression tag
Leu 587	-	expression tag
Asn 588	-	expression tag
Asp 589	-	expression tag
Ile 590	-	expression tag
Phe 591	-	expression tag
Glu 592	-	expression tag
Ala 593	-	expression tag
Gln 594	-	expression tag
Lys 595	-	expression tag
Ile 596	-	expression tag
Glu 597	-	expression tag
Trp 598	-	expression tag
His 599	-	expression tag
Glu 600	-	expression tag
Glu 601	-	expression tag
Pro 602	-	expression tag
Glu 603	-	expression tag
Ala 604	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	201915.7
All*	Total formula weight	201915.7

*Water molecules are not included.