8OTU

The crystal structure of PET44, a PETase enzyme from Alkalilimnicola ehrlichii

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)	Dienelactone hydrolase domain-containing protein	polymer	320	34720.8	2	UniProt (A0A3E0WVY1) Pfam (PF12740)	Alkalilimnicola ehrlichii
2	C, V, W (A, B)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
3	AA, BA, CA, D, DA... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	25	Chemie (EDO)
4	GA, T, U (B, A)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	HA, IA (A, B)	water	water		18.0	477	Chemie (HOH)

Sequence modifications

A, B: 1 - 305 (UniProt: A0A3E0WVY1)

PDB	External Database	Details
Val 306	-	expression tag
Asp 307	-	expression tag
Lys 308	-	expression tag
Leu 309	-	expression tag
Ala 310	-	expression tag
Ala 311	-	expression tag
Ala 312	-	expression tag
Leu 313	-	expression tag
Glu 314	-	expression tag
His 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag
His 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69441.5
Non-Polymers*	Number of molecules	31
	Total formula weight	1727.0
All*	Total formula weight	71168.6

*Water molecules are not included.