7NC6

Glutathione-S-transferase GliG in complex with cyclo[L-Phe-L-Ser]-bis-glutathione-adduct

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Glutathione S-transferase GliG	polymer	253	28963.0	6	UniProt (B0Y813) Pfam (PF13409) Pfam (PF00043) In PDB	Aspergillus fumigatus A1163
2	A, B, C, D, E...	(2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid	non-polymer		571.6	6	Chemie (U8B)
3	B, D	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	B	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5		water	water		18.0	270	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 240 (UniProt: B0Y813)

PDB	External Database	Details
Met -12	-	initiating methionine
Ser -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	173778.1
Non-Polymers*	Number of molecules	10
	Total formula weight	3675.0
All*	Total formula weight	177453.1

*Water molecules are not included.