3T0F

IspH:HMBPP (substrate) structure of the E126D mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	4-hydroxy-3-methylbut-2-enyl diphosphate reductase	polymer	328	36209.0	2	UniProt (P62623) Pfam (PF02401) In PDB	Escherichia coli	IspH
2	A, B	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
3	A, B	(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate	non-polymer		262.1	2	Chemie (H6P)
4		water	water		18.0	184	Chemie (HOH)

Sequence modifications

A, B: 1 - 316 (UniProt: P62623)

PDB	External Database	Details
Met -12	-	expression tag
Arg -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Asp 126	Glu 126	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72418.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1115.8
All*	Total formula weight	73533.8

*Water molecules are not included.