3KTL

Crystal Structure of an I71A human GSTA1-1 mutant in complex with S-hexylglutathione

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)	Glutathione S-transferase A1	polymer	221	25496.8	2	UniProt (P08263) Pfam (PF02798) Pfam (PF00043)	Homo sapiens (human)	GTH1, HA subunit 1, GST-epsilon, GSTA1-1, GST class-alpha member 1
2	C, D (A, B)	S-HEXYLGLUTATHIONE	non-polymer		392.5	2	Chemie (GTX)
3	E, F (A, B)	water	water		18.0	845	Chemie (HOH)

Sequence modifications

A, B: 2 - 222 (UniProt: P08263)

PDB	External Database	Details
Ala 71	Ile 71	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50993.7
Non-Polymers*	Number of molecules	2
	Total formula weight	785.0
All*	Total formula weight	51778.7

*Water molecules are not included.