7W45

Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP

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)	Leaf-branch compost cutinase	polymer	270	28548.0	2	UniProt (G9BY57)	unidentified prokaryotic organism	LC-cutinase,LCC,PET-digesting enzyme,Poly(ethylene terephthalate) hydrolase,PET hydrolase,PETase
2	C (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
3	D, E, F, G (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	H, I (A, B)	water	water		18.0	500	Chemie (HOH)

Sequence modifications

A, B: 36 - 293 (UniProt: G9BY57)

PDB	External Database	Details
Gly 24	-	expression tag
Ala 25	-	expression tag
Gly 26	-	expression tag
Ala 27	-	expression tag
Gly 28	-	expression tag
Ala 29	-	expression tag
Gly 30	-	expression tag
Ala 31	-	expression tag
Gly 32	-	expression tag
Ala 33	-	expression tag
Gly 34	-	expression tag
Met 35	-	expression tag
Lys 59	Ala 59	engineered mutation
Ile 63	Val 63	engineered mutation
Gly 127	Tyr 127	conflict
Cys 238	Asp 238	conflict
Ile 243	Phe 243	conflict
Pro 248	Asn 248	engineered mutation
Cys 283	Ser 283	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57096.0
Non-Polymers*	Number of molecules	5
	Total formula weight	183.3
All*	Total formula weight	57279.3

*Water molecules are not included.