7BIB

Crystal structure of human GSTA1-1 bound to the glutathione adduct of hexyl-isothiocyanate

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 A1	polymer	222	25670.1	2	UniProt (P08263) Pfam (PF02798) Pfam (PF00043) In PDB	Homo sapiens (Human)	13-hydroperoxyoctadecadienoate peroxidase,Androst-5-ene-3,17-dione isomerase,GST HA subunit 1,GST class-alpha member 1,GST-epsilon,GSTA1-1,GTH1
2	A, B	(2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid	non-polymer		450.6	2	Chemie (TZ8)
3		water	water		18.0	49	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	51340.2
Non-Polymers*	Number of molecules	2
	Total formula weight	901.1
All*	Total formula weight	52241.4

*Water molecules are not included.