6PAK

Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis

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)	Subtilisin E	polymer	285	29136.2	2	UniProt (P04189) Pfam (PF00082)	Bacillus subtilis (strain 168)
2	C, F (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D, E, G, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	I, J (A, B)	water	water		18.0	454	Chemie (HOH)

Sequence modifications

A, B: 1 - 276 (UniProt: P04189)

PDB	External Database	Details
Ser 130	Thr 236	engineered mutation
Gln 158	Ser 264	engineered mutation
His 159	Ser 265	engineered mutation
Pro 160	Gly 266	engineered mutation
Lys 161	Ser 267	engineered mutation
Glu 162	Thr 268	engineered mutation
Gly 163	-	insertion
Cys 222	Ser 327	engineered mutation
Ser 277	-	expression tag
Leu 278	-	expression tag
Glu 279	-	expression tag
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
His 285	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	58272.3
Non-Polymers*	Number of molecules	6
	Total formula weight	328.4
All*	Total formula weight	58600.8

*Water molecules are not included.