8IBL

MES bound form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A inactivation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Alpha/beta hydrolase family protein	polymer	263	28889.5	2	UniProt (W0TJ64) Pfam (PF03403) In PDB	Saccharomonospora viridis	Cutinase
2	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	A, B	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
4	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5		water	water		18.0	61	Chemie (HOH)

Sequence modifications

A, B: 47 - 304 (UniProt: W0TJ64)

PDB	External Database	Details
Gly 45	-	expression tag
Pro 46	-	expression tag
His 123	Gln 123	engineered mutation
Ala 138	Gln 138	engineered mutation
Ala 176	Ser 176	engineered mutation
His 202	Asn 202	engineered mutation
Pro 226	Ser 226	engineered mutation
Ser 228	Arg 228	engineered mutation
Cys 250	Asp 250	engineered mutation
Cys 296	Glu 296	engineered mutation
Lys 305	-	expression tag
Leu 306	-	expression tag
Asn 307	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57779.1
Non-Polymers*	Number of molecules	6
	Total formula weight	541.5
All*	Total formula weight	58320.6

*Water molecules are not included.