4C4N

Crystal structure of the Sonic Hedgehog-heparin complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	SONIC HEDGEHOG PROTEIN	polymer	164	18768.0	2	UniProt (Q62226) Pfam (PF01085) In PDB	MUS MUSCULUS (HOUSE MOUSE)	SHH, HHG-1
2	C	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid	branched		1750.4	1	In PDB GlyTouCan (G82873VJ)
3	D	2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose	branched		1750.4	1	In PDB GlyTouCan (G30141AL)
4	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
6	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7		water	water		18.0	64	Chemie (HOH)

Sequence modifications

A, B: 40 - 195 (UniProt: Q62226)

PDB	External Database	Details
Met 38	-	expression tag
Ala 39	-	expression tag
His 196	-	expression tag
His 197	-	expression tag
His 198	-	expression tag
His 199	-	expression tag
His 200	-	expression tag
His 201	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37536.0
Branched	Number of molecules	2
	Total formula weight	3500.9
Non-Polymers*	Number of molecules	7
	Total formula weight	326.6
All*	Total formula weight	41363.5

*Water molecules are not included.