6JTT

MHETase in complex with BHET

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	Mono(2-hydroxyethyl) terephthalate hydrolase	polymer	621	65249.2	3	UniProt (A0A0K8P8E7) Pfam (PF07519) In PDB	Ideonella sakaiensis
2	A, C	4-(2-hydroxyethyloxycarbonyl)benzoic acid	non-polymer		210.2	2	Chemie (C9C)
3	A, B, C	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	B	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate	non-polymer		254.2	1	Chemie (C8X)
5		water	water		18.0	500	Chemie (HOH)

Sequence modifications

A, B, C: 17 - 603 (UniProt: A0A0K8P8E7)

PDB	External Database	Details
Met -9	-	initiating methionine
Met -8	-	expression tag
Ile -7	-	expression tag
Thr -6	-	expression tag
Leu -5	-	expression tag
Arg -4	-	expression tag
Lys -3	-	expression tag
Leu -2	-	expression tag
Pro -1	-	expression tag
Leu 0	-	expression tag
Ala 1	-	expression tag
Val 2	-	expression tag
Ala 3	-	expression tag
Val 4	-	expression tag
Ala 5	-	expression tag
Ala 6	-	expression tag
Gly 7	-	expression tag
Val 8	-	expression tag
Met 9	-	expression tag
Ser 10	-	expression tag
Ala 11	-	expression tag
Gln 12	-	expression tag
Ala 13	-	expression tag
Met 14	-	expression tag
Ala 15	-	expression tag
Met 16	-	expression tag
Leu 604	-	expression tag
Glu 605	-	expression tag
His 606	-	expression tag
His 607	-	expression tag
His 608	-	expression tag
His 609	-	expression tag
His 610	-	expression tag
His 611	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	195747.5
Non-Polymers*	Number of molecules	6
	Total formula weight	794.8
All*	Total formula weight	196542.4

*Water molecules are not included.