9RQD

Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G03

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, E (A)	3-ethoxybenzene-1-carboximidamide	non-polymer		164.2	2	Chemie (RD4)
4	F, H (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
5	G (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
6	I, J (A, B)	water	water		18.0	456	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	6
	Total formula weight	578.5
All*	Total formula weight	33197.2

*Water molecules are not included.