6SZG

Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GR839 and GSK513

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)	Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)	polymer	270	30904.9	2	UniProt (V5VCK8)	Acinetobacter baumannii	Ditrans,polycis-undecaprenylcistransferase,Undecaprenyl diphosphate synthase,UDS,Undecaprenyl pyrophosphate synthase,UPP synthase
2	C (A)	4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid	non-polymer		166.2	1	Chemie (M2K)
3	D (A)	(4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone	non-polymer		239.7	1	Chemie (M2E)
4	E (B)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	F, G (A, B)	water	water		18.0	368	Chemie (HOH)

Sequence modifications

A, B: 11 - 260 (UniProt: V5VCK8)

PDB	External Database	Details
Met -9	-	initiating methionine
Gly -8	-	expression tag
Ser -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ser 1	-	expression tag
Ser 2	-	expression tag
Gly 3	-	expression tag
Leu 4	-	expression tag
Val 5	-	expression tag
Pro 6	-	expression tag
Arg 7	-	expression tag
Gly 8	-	expression tag
Ser 9	-	expression tag
His 10	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61809.7
Non-Polymers*	Number of molecules	3
	Total formula weight	446.0
All*	Total formula weight	62255.7

*Water molecules are not included.