9GC8

Crystal structure of Pseudomonas aeruginosa IspD in complex with C11H12N2O3

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase	polymer	256	28058.9	1	UniProt (P57707) Pfam (PF01128)	Pseudomonas aeruginosa	4-diphosphocytidyl-2C-methyl-D-erythritol synthase,MEP cytidylyltransferase,MCT
2	B (A)	methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate	non-polymer		220.2	1	Chemie (A1IJS)
3	C (A)	water	water		18.0	62	Chemie (HOH)

Sequence modifications

A: 1 - 234 (UniProt: P57707)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Leu 235	-	expression tag
Glu 236	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28058.9
Non-Polymers*	Number of molecules	1
	Total formula weight	220.2
All*	Total formula weight	28279.1

*Water molecules are not included.