7ZI0

Structure of human Smoothened in complex with cholesterol and SAG

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Smoothened homolog,Soluble cytochrome b562	polymer	638	70784.0	2	UniProt (Q99835) UniProt (P0ABE7) Pfam (PF01392) Pfam (PF01534) Pfam (PF07361)	Homo sapiens (human)	SMO,Protein Gx,Cytochrome b-562
2	C, I (A, B)	3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide	non-polymer		490.1	2	Chemie (V0S)
3	D, J (A, B)	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR)
4	E (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5	F, G (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	H (A)	[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate	non-polymer		356.5	1	Chemie (MPG)

Sequence modifications

A, B: 32 - 428 (UniProt: Q99835)

PDB	External Database	Details
Phe 329	Val 329	conflict

A, B: 434 - 538 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 440	Met 29	conflict
Ile 535	His 124	conflict
Leu 539	-	linker
Glu 540	-	linker
Arg 541	-	linker
Ala 542	-	linker
Arg 543	-	linker
Ser 544	-	linker
Thr 545	-	linker
Leu 546	-	linker

A, B: 547 - 659 (UniProt: Q99835)

PDB	External Database	Details
Ala 429	-	linker
Arg 430	-	linker
Arg 431	-	linker
Gln 432	-	linker
Leu 433	-	linker
Gly 660	-	expression tag
Thr 661	-	expression tag
Glu 662	-	expression tag
Thr 663	-	expression tag
Ser 664	-	expression tag
Gln 665	-	expression tag
Val 666	-	expression tag
Ala 667	-	expression tag
Pro 668	-	expression tag
Ala 669	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	141567.9
Non-Polymers*	Number of molecules	8
	Total formula weight	2377.2
All*	Total formula weight	143945.1

*Water molecules are not included.