3RDZ

Crystal Structure of rBTI-trypsin complex at 2.26 angstrom resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cationic trypsin	polymer	223	23324.3	2	UniProt (P00760) Pfam (PF00089) In PDB	Bos taurus (bovine)	Beta-trypsin, Alpha-trypsin chain 1, Alpha-trypsin chain 2
2	C, D	BWI-1=PROTEASE inhibitor/trypsin inhibitor	polymer	79	9019.2	2	UniProt (Q9S9F3) Pfam (PF00280) In PDB	Fagopyrum esculentum (buckwheat)	Proteinase inhibitor
3	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4		water	water		18.0	300	Chemie (HOH)

Sequence modifications

C, D: 1 - 69 (UniProt: Q9S9F3)

PDB	External Database	Details
Met -9	-	expression tag
Arg -8	-	expression tag
Gly -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	64687.1
Non-Polymers*	Number of molecules	2
	Total formula weight	80.2
All*	Total formula weight	64767.2

*Water molecules are not included.