7XW6

TSHR-Gs-M22 antibody-ML109 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	249	29068.9	1	Pfam (PF00503) UniProt (by SIFTS) (P63092)	Homo sapiens
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	350	38613.2	1	UniProt (P62873) Pfam (PF25391)	Homo sapiens (human)	Transducin beta chain 1
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 (L)	M22 antibody light chain	polymer	112	11970.1	1		Mus musculus
5	E (N)	Nanobody35	polymer	134	14714.3	1		Homo sapiens
6	F (R)	Thyrotropin receptor	polymer	702	79920.8	1	UniProt (P16473) Pfam (PF13306) Pfam (PF00001)	Homo sapiens (human)	Thyroid-stimulating hormone receptor,TSH-R
7	G (Y)	M22 antibody heavy chain	polymer	120	13400.0	1		Homo sapiens
8	H, I, J, K (R)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG) PubChem (24139)
9	AA, BA, L, M, N... (R)	CHOLESTEROL	non-polymer		386.7	17	Chemie (CLR) PubChem (5997)
10	CA, DA, EA, FA, GA (R)	PALMITIC ACID	non-polymer		256.4	5	Chemie (PLM) PubChem (985)
11	HA (R)	~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide	non-polymer		523.6	1	Chemie (HOI) PubChem (118685720)

Sequence modifications

B: 2 - 340 (UniProt: P62873)

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

R: 21 - 764 (UniProt: P16473)

PDB	External Database	Details
Ile 281	Ser 281	variant
-	Ala 317	deletion
-	Leu 318	deletion
-	Asn 319	deletion
-	Ser 320	deletion
-	Pro 321	deletion
-	Leu 322	deletion
-	His 323	deletion
-	Gln 324	deletion
-	Glu 325	deletion
-	Tyr 326	deletion
-	Glu 327	deletion
-	Glu 328	deletion
-	Asn 329	deletion
-	Leu 330	deletion
-	Gly 331	deletion
-	Asp 332	deletion
-	Ser 333	deletion
-	Ile 334	deletion
-	Val 335	deletion
-	Gly 336	deletion
-	Tyr 337	deletion
-	Lys 338	deletion
-	Glu 339	deletion
-	Lys 340	deletion
-	Ser 341	deletion
-	Lys 342	deletion
-	Phe 343	deletion
-	Gln 344	deletion
-	Asp 345	deletion
-	Thr 346	deletion
-	His 347	deletion
-	Asn 348	deletion
-	Asn 349	deletion
-	Ala 350	deletion
-	His 351	deletion
-	Tyr 352	deletion
-	Tyr 353	deletion
-	Val 354	deletion
-	Phe 355	deletion
-	Phe 356	deletion
-	Glu 357	deletion
-	Glu 358	deletion
-	Gln 359	deletion
-	Glu 360	deletion
-	Asp 361	deletion
-	Glu 362	deletion
-	Ile 363	deletion
-	Ile 364	deletion
-	Gly 365	deletion
-	Phe 366	deletion
Asn 367	Gly 367	conflict
Lys 368	Gln 368	conflict
Thr 369	Glu 369	conflict
His 765	-	expression tag
His 766	-	expression tag
His 767	-	expression tag
His 768	-	expression tag
His 769	-	expression tag
His 770	-	expression tag
His 771	-	expression tag
His 772	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	195548.4
Non-Polymers*	Number of molecules	27
	Total formula weight	9263.6
All*	Total formula weight	204812.0

*Water molecules are not included.