3ZGN

Crystal structures of Escherichia coli IspH in complex with TMBPP 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	4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE	polymer	332	36639.5	2	UniProt (P62623) Pfam (PF02401) In PDB	ESCHERICHIA COLI	ISPH, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE (E)-4-MERCAPTO-3-METHYL-BUT-2-EN- 1-YL DIPHOSPHATE
2	A, B	(2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate	non-polymer		278.2	2	Chemie (10G)
3	A, B	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
4		water	water		18.0	442	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	1259.6
All*	Total formula weight	74538.6

*Water molecules are not included.