7VVC

Crystal structure of inactive mutant of leaf-branch compost cutinase variant

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	28476.9	2	UniProt (G9BY57) Pfam (PF12695)	Unknown prokaryotic organism	LC-cutinase,LCC,PET-digesting enzyme,Poly(ethylene terephthalate) hydrolase,PET hydrolase,PETase
2	C, F (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D, G (A, B)	ACETIC ACID	non-polymer		60.1	2	Chemie (ACY)
4	E, I (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	H (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	J, K (A, B)	water	water		18.0	717	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
Gly 127	Tyr 127	conflict
Ala 165	Ser 165	conflict
Cys 238	Asp 238	conflict
Ile 243	Phe 243	conflict
Cys 283	Ser 283	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	56953.7
Non-Polymers*	Number of molecules	7
	Total formula weight	443.5
All*	Total formula weight	57397.2

*Water molecules are not included.