8Z2J

Substrate analog a012 bound form of PET-degrading cutinase mutant Cut190**SS_S176A

This is a non-PDB format compatible entry.

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)	Alpha/beta hydrolase family protein	polymer	260	28533.1	2	UniProt (W0TJ64) Pfam (PF03403)	Saccharomonospora viridis	cutinase
2	C, H (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
3	D, K (A, B)	(4-methoxycarbonylphenyl)-(2-phenylmethoxyethoxy)phosphinic acid	non-polymer		350.3	2	Chemie (A1L0M)
4	E, F, L, M (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	G, N, O (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6	I, J (B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
7	P, Q (A, B)	water	water		18.0	609	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57066.2
Non-Polymers*	Number of molecules	13
	Total formula weight	1321.7
All*	Total formula weight	58387.9

*Water molecules are not included.