3ZGL

Crystal structures of Escherichia coli IspH in complex with AMBPP a potent inhibitor of the methylerythritol phosphate pathway

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)	4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE	polymer	332	36639.5	2	UniProt (P62623) Pfam (PF02401)	ESCHERICHIA COLI	ISPH, (E)-4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE (E)-4-AMINO-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE
2	C, E (A, B)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
3	D, F (A, B)	(2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate	non-polymer		261.1	2	Chemie (10E)
4	G, H (A, B)	water	water		18.0	809	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -15	-	expression tag
Arg -14	-	expression tag
Gly -13	-	expression tag
Ser -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
Ala -3	-	expression tag
Cys -2	-	expression tag
Glu -1	-	expression tag
Leu 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73279.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1225.5
All*	Total formula weight	74504.5

*Water molecules are not included.