9RD2

Crystal structure of a leaf-branch compost cutinase variant (LCC_ICCG)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Leaf-branch compost cutinase	polymer	267	28866.3	1	UniProt (G9BY57)	unidentified prokaryotic organism	LC-cutinase,LCC,PET-digesting enzyme,Poly(ethylene terephthalate) hydrolase,PET hydrolase,PETase
2	B (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
3	C, D (A)	NITRATE ION	non-polymer		62.0	2	Chemie (NO3) PubChem (943)
4	E (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG) PubChem (8117)
5	F (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	G (A)	water	water		18.0	113	Chemie (HOH)

Sequence modifications

A: 36 - 293 (UniProt: G9BY57)

PDB	External Database	Details
Met 35	-	initiating methionine
Gly 127	Tyr 127	engineered mutation
Cys 238	Asp 238	engineered mutation
Ile 243	Phe 243	engineered mutation
Cys 283	Ser 283	engineered mutation
Leu 294	-	expression tag
Glu 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28866.3
Non-Polymers*	Number of molecules	5
	Total formula weight	361.3
All*	Total formula weight	29227.6

*Water molecules are not included.