8VEL

IsPETase - ACCCC mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Poly(ethylene terephthalate) hydrolase	polymer	272	28608.9	1	UniProt (A0A0K8P6T7) Pfam (PF01738)	Piscinibacter sakaiensis	PET hydrolase,PETase,PET-digesting enzyme
2	B, C (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	D (A)	water	water		18.0	287	Chemie (HOH)

Sequence modifications

A: 30 - 290 (UniProt: A0A0K8P6T7)

PDB	External Database	Details
Met 27	-	initiating methionine
Gly 28	-	expression tag
Ser 29	-	expression tag
Cys 179	Ala 179	engineered mutation
Ala 186	Asp 186	engineered mutation
Cys 198	Thr 198	engineered mutation
Cys 233	Asn 233	engineered mutation
Cys 282	Ser 282	engineered mutation
Ala 291	-	expression tag
Ser 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	1
	Total formula weight	28608.9
Non-Polymers*	Number of molecules	2
	Total formula weight	192.1
All*	Total formula weight	28801.0

*Water molecules are not included.