3WHI

Crystal structure of unautoprocessed form of IS1-inserted Pro-subtilisin E

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Subtilisin E	polymer	365	37465.6	2	UniProt (P04189) Pfam (PF05922) Pfam (PF00082) In PDB	Bacillus subtilis subsp. subtilis
2	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3		water	water		18.0	167	Chemie (HOH)

Sequence modifications

A, B: 1 - 365 (UniProt: P04189)

PDB	External Database	Details
Gly 78	-	expression tag
Lys 79	-	expression tag
Pro 80	-	expression tag
Ser 81	-	expression tag
Trp 82	-	expression tag
Leu 83	-	expression tag
Gly 84	-	expression tag
Gly 85	-	expression tag
Gly 86	-	expression tag
Ser 87	-	expression tag
Thr 88	-	expression tag
Gln 89	-	expression tag
Pro 90	-	expression tag
Ser 175	Ala 191	SEE REMARK 999
Ala 311	Ser 327	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74931.2
Non-Polymers*	Number of molecules	2
	Total formula weight	80.2
All*	Total formula weight	75011.4

*Water molecules are not included.