6D32

Crystal structure of Xenopus Smoothened in complex with cyclopamine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Smoothened,Soluble cytochrome b562,Smoothened	polymer	612	68984.3	1	UniProt (Q98SW5) UniProt (P0ABE7) Pfam (PF07361)	Xenopus laevis (African clawed frog)	Cytochrome b-562
2	B, C (A)	Cyclopamine	non-polymer		411.6	2	Chemie (CY8)

Sequence modifications

A: 35 - 401 (UniProt: Q98SW5)

PDB	External Database	Details
Gly 33	-	expression tag
Pro 34	-	expression tag
Ala 163	Ser 163	engineered mutation
Val 227	Ala 227	conflict
Ala 249	Val 249	conflict
Ser 282	Asn 282	conflict

A: 1016 - 1120 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 1022	Met 29	engineered mutation
Ile 1117	His 124	engineered mutation
Leu 1121	-	linker
Glu 1122	-	linker
Arg 1123	-	linker
Ala 1124	-	linker
Arg 1125	-	linker
Ser 1126	-	linker
Thr 1127	-	linker
Leu 1128	-	linker

A: 416 - 528 (UniProt: Q98SW5)

PDB	External Database	Details
Ala 1011	-	linker
Arg 1012	-	linker
Arg 1013	-	linker
Gln 1014	-	linker
Leu 1015	-	linker
Ala 468	Thr 468	engineered mutation
Pro 529	-	expression tag
Ala 530	-	expression tag
Ala 531	-	expression tag
Ala 532	-	expression tag
His 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
His 540	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	68984.3
Non-Polymers*	Number of molecules	2
	Total formula weight	823.2
All*	Total formula weight	69807.5

*Water molecules are not included.