6DMY

Cryo-EM structure of human Ptch1 and ShhN 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)	Protein patched homolog 1	polymer	1349	150189.6	1	UniProt (Q13635) Pfam (PF02460)	Homo sapiens (Human)	PTC1
2	B (B)	Sonic hedgehog protein	polymer	177	19934.5	1	UniProt (Q15465) Pfam (PF01085)	Homo sapiens (Human)	SHH,HHG-1,Shh unprocessed N-terminal signaling and C-terminal autoprocessing domains,ShhNC
3	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D, E, F, G, H (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
5	I, J (A)	CHOLESTEROL HEMISUCCINATE	non-polymer		486.7	2	Chemie (Y01)
6	K (B)	SERINE	non-polymer		105.1	1	Chemie (SER)
7	L (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
8	M, N (B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)

Sequence modifications

A: 1 - 1305 (UniProt: Q13635)

PDB	External Database	Details
Met -20	-	initiating methionine
Ala -19	-	expression tag
Asp -18	-	expression tag
Tyr -17	-	expression tag
Lys -16	-	expression tag
Asp -15	-	expression tag
Asp -14	-	expression tag
Asp -13	-	expression tag
Asp -12	-	expression tag
Lys -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Pro -8	-	expression tag
Asp -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Asp -4	-	expression tag
Ala -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag
Leu 1306	-	expression tag
Glu 1307	-	expression tag
Gly 1308	-	expression tag
Ser 1309	-	expression tag
Asp 1310	-	expression tag
Glu 1311	-	expression tag
Val 1312	-	expression tag
Asp 1313	-	expression tag
Ala 1314	-	expression tag
Val 1315	-	expression tag
Glu 1316	-	expression tag
Gly 1317	-	expression tag
Ser 1318	-	expression tag
His 1319	-	expression tag
His 1320	-	expression tag
His 1321	-	expression tag
His 1322	-	expression tag
His 1323	-	expression tag
His 1324	-	expression tag
His 1325	-	expression tag
His 1326	-	expression tag
His 1327	-	expression tag
His 1328	-	expression tag

B: 24 - 197 (UniProt: Q15465)

PDB	External Database	Details
Ala 21	-	expression tag
His 22	-	expression tag
Met 23	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	170124.0
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	11
	Total formula weight	2330.2
All*	Total formula weight	172878.6

*Water molecules are not included.