9RQ4

Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry D06

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)	FosA family fosfomycin resistance glutathione transferase	polymer	145	16309.3	2	UniProt (A0A086IRG1)	Klebsiella pneumoniae	FosA_9_NZ_ACZD01000244,Fosfomycin resistance protein FosA
2	C (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
3	D (A)	(3-methoxyphenyl)(pyrrolidin-1-yl)methanone	non-polymer		205.3	1	Chemie (R9G)
4	E, G (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
5	F (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
6	H, I (A, B)	water	water		18.0	461	Chemie (HOH)

Sequence modifications

A, B: 1 - 139 (UniProt: A0A086IRG1)

PDB	External Database	Details
His 140	-	expression tag
His 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag
His 144	-	expression tag
His 145	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	32618.7
Non-Polymers*	Number of molecules	5
	Total formula weight	455.3
All*	Total formula weight	33074.0

*Water molecules are not included.