1USB

Rational design of a novel enzyme - efficient thioester hydrolysis enabled by the incorporation of a single His residue into human glutathione transferase A1-1

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	225	25922.3	2	UniProt (P08263) Pfam (PF02798) Pfam (PF00043) In PDB	HOMO SAPIENS (HUMAN)	GLUTATHIONE TRANSFERASE A1-1, TH1, HA SUBUNIT 1 GST-EPSILON, GSTA1-1, GST CLASS-ALPHA, GSTA1
2	A, B	GLUTATHIONE	non-polymer		307.3	2	Chemie (GSH)
3	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A, B	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
5		water	water		18.0	259	Chemie (HOH)

Sequence modifications

A, B: -2 - 1 (PDB: 1USB)
A, B: 2 - 222 (UniProt: P08263)

PDB	External Database	Details
His 216	Ala 215	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	51844.6
Non-Polymers*	Number of molecules	6
	Total formula weight	763.7
All*	Total formula weight	52608.4

*Water molecules are not included.