9UM7

CaPETaseM9 SEC loop of 12CL 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)	Cutinase	polymer	266	28806.3	2	UniProt (A0A1M7II12) Pfam (PF12740)	Cryptosporangium aurantiacum
2	C, D, E, F, G... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
3	I, J (A, B)	water	water		18.0	360	Chemie (HOH)

Sequence modifications

A, B: 41 - 301 (UniProt: A0A1M7II12)

PDB	External Database	Details
Ala 109	Asn 109	engineered mutation
Thr 129	Val 129	engineered mutation
Arg 155	Ala 155	engineered mutation
Cys 180	Leu 180	engineered mutation
Thr 196	Gly 196	engineered mutation
Lys 198	Arg 198	engineered mutation
Cys 202	Ala 202	engineered mutation
Cys 242	Arg 242	engineered mutation
Gly 280	-	insertion
Ala 281	Pro 280	engineered mutation
Glu 282	Gly 281	engineered mutation
His 283	Pro 282	engineered mutation
Gln 284	Ser 283	engineered mutation
Ala 285	Thr 284	engineered mutation
Asp 286	Gly 285	engineered mutation
Ser 288	-	insertion
Lys 289	Phe 287	engineered mutation
Arg 290	Ala 288	engineered mutation
Ala 291	Pro 289	engineered mutation
Cys 293	Ser 291	engineered mutation
Leu 302	-	expression tag
Glu 303	-	expression tag
His 304	-	expression tag
His 305	-	expression tag
His 306	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57612.6
Non-Polymers*	Number of molecules	6
	Total formula weight	372.4
All*	Total formula weight	57985.0

*Water molecules are not included.