7QVH

The crystal structure of HotPETase, an evolved thermostable variant of IsPETase

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	Poly(ethylene terephthalate) hydrolase	polymer	272	28801.2	3	UniProt (A0A0K8P6T7) Pfam (PF01738) In PDB	Ideonella sakaiensis	PET hydrolase,PETase,PET-digesting enzyme
2	A, C	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
3		water	water		18.0	212	Chemie (HOH)

Sequence modifications

A, B, C: 28 - 290 (UniProt: A0A0K8P6T7)

PDB	External Database	Details
Met 27	-	initiating methionine
Ala 58	Ser 58	engineered mutation
Val 61	Ser 61	engineered mutation
Thr 90	Arg 90	engineered mutation
Asn 95	Lys 95	engineered mutation
Lys 119	Gln 119	engineered mutation
Glu 121	Ser 121	engineered mutation
Gly 154	Met 154	engineered mutation
Val 181	Pro 181	engineered mutation
Met 182	Gln 182	engineered mutation
His 186	Asp 186	engineered mutation
Arg 207	Ser 207	engineered mutation
Lys 212	Asn 212	engineered mutation
Glu 213	Ser 213	engineered mutation
Tyr 214	Ser 214	engineered mutation
Leu 224	Arg 224	engineered mutation
Cys 233	Asn 233	engineered mutation
Cys 241	Asn 241	engineered mutation
Met 252	Lys 252	engineered mutation
Gln 270	Thr 270	engineered mutation
Ala 280	Arg 280	engineered mutation
Cys 282	Ser 282	engineered mutation
Leu 291	-	expression tag
Glu 292	-	expression tag
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	86403.7
Non-Polymers*	Number of molecules	2
	Total formula weight	300.3
All*	Total formula weight	86704.1

*Water molecules are not included.