7XBA

Glutathione S-transferase bound with a covalent inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Glutathione S-transferase P	polymer	243	26799.5	2	UniProt (P09211) Pfam (PF02798) Pfam (PF14497) In PDB	Homo sapiens (human)	GST class-pi,GSTP1-1
2	A	GLUTATHIONE	non-polymer		307.3	1	Chemie (GSH)		GST class-pi,GSTP1-1
3	B	3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid	non-polymer		683.7	1	Chemie (HJ6)

Sequence modifications

A, B: 1 - 209 (UniProt: P09211)

PDB	External Database	Details
Met -33	-	initiating methionine
Gly -32	-	expression tag
Ser -31	-	expression tag
Ser -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
Ser -23	-	expression tag
Ser -22	-	expression tag
Gly -21	-	expression tag
Leu -20	-	expression tag
Val -19	-	expression tag
Pro -18	-	expression tag
Arg -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
Met -13	-	expression tag
Ala -12	-	expression tag
Ser -11	-	expression tag
Met -10	-	expression tag
Thr -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Gln -6	-	expression tag
Gln -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53599.1
Non-Polymers*	Number of molecules	2
	Total formula weight	991.0
All*	Total formula weight	54590.1

*Water molecules are not included.