9UM3

CaPETaseM9 SEC loop of 6CLb 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, C, D (A, B, C, D)	Cutinase	polymer	261	28287.7	4	UniProt (A0A1M7II12) Pfam (PF12740)	Cryptosporangium aurantiacum
2	E, F, G, H (A, B, C, D)	water	water		18.0	208	Chemie (HOH)

Sequence modifications

A, B, C, D: 43 - 295 (UniProt: A0A1M7II12)

PDB	External Database	Details
Ala 41	-	expression tag
Ala 42	-	expression tag
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
-	Pro 280	deletion
-	Gly 281	deletion
-	Pro 282	deletion
-	Ser 283	deletion
-	Thr 284	deletion
Asn 280	Gly 285	engineered mutation
Val 281	Leu 286	engineered mutation
Asn 282	Phe 287	engineered mutation
Asp 283	Ala 288	engineered mutation
Ala 285	-	insertion
Cys 287	Ser 291	engineered mutation
Leu 296	-	expression tag
Glu 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	113150.7
All*	Total formula weight	113150.7

*Water molecules are not included.