8H83

Crystal structure of a IsPETase variant V22 from Ideonella sakaiensis

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)	Poly(ethylene terephthalate) hydrolase	polymer	330	34634.8	2	UniProt (A0A0K8P6T7) Pfam (PF12740)	Ideonella sakaiensis	PET hydrolase,PETase,PET-digesting enzyme
2	C, D (A, B)	water	water		18.0	453	Chemie (HOH)

Sequence modifications

A, B: 2 - 290 (UniProt: A0A0K8P6T7)

PDB	External Database	Details
Met -31	-	initiating methionine
Lys -30	-	expression tag
Tyr -29	-	expression tag
Leu -28	-	expression tag
Leu -27	-	expression tag
Pro -26	-	expression tag
Thr -25	-	expression tag
Ala -24	-	expression tag
Ala -23	-	expression tag
Ala -22	-	expression tag
Gly -21	-	expression tag
Leu -20	-	expression tag
Leu -19	-	expression tag
Leu -18	-	expression tag
Leu -17	-	expression tag
Ala -16	-	expression tag
Ala -15	-	expression tag
Gln -14	-	expression tag
Pro -13	-	expression tag
Thr -12	-	expression tag
Met -11	-	expression tag
Ala -10	-	expression tag
Met -9	-	expression tag
Asp -8	-	expression tag
Ile -7	-	expression tag
Gly -6	-	expression tag
Ile -5	-	expression tag
Asn -4	-	expression tag
Ser -3	-	expression tag
Asp -2	-	expression tag
Pro -1	-	expression tag
Asn 0	-	expression tag
Ser 1	-	expression tag
Glu 14	Val 14	variant
Pro 18	Leu 18	variant
Leu 84	Val 84	variant
Ile 201	Phe 201	variant
Gln 204	Glu 204	variant
Tyr 229	Phe 229	variant
Lys 233	Asn 233	variant
Glu 280	Arg 280	variant
Arg 283	Asp 283	variant
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	2
	Total formula weight	69269.6
All*	Total formula weight	69269.6

*Water molecules are not included.