6XBL

Structure of human SMO-Gi complex with SAG

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	R	Smoothened homolog	polymer	652	71786.4	1	UniProt (Q99835) Pfam (PF01392) Pfam (PF01534) In PDB	Homo sapiens (Human)	SMO,Protein Gx
2	A	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40415.0	1	UniProt (P63096) Pfam (PF00503) In PDB	Homo sapiens (Human)	Adenylate cyclase-inhibiting G alpha protein
3	B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	344	37671.1	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (Human)	Transducin beta chain 1
4	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
5	S	scFv16	polymer	259	27784.9	1		Mus musculus
6	R	3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide	non-polymer		490.1	1	Chemie (V0S)
7	R	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)

Sequence modifications

R: 1 - 644 (UniProt: Q99835)

PDB	External Database	Details
Asp 645	-	expression tag
Tyr 646	-	expression tag
Lys 647	-	expression tag
Asp 648	-	expression tag
Asp 649	-	expression tag
Asp 650	-	expression tag
Asp 651	-	expression tag
Lys 652	-	expression tag

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	185518.6
Non-Polymers*	Number of molecules	2
	Total formula weight	876.7
All*	Total formula weight	186395.3

*Water molecules are not included.