2FI4

Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	E	Cationic trypsin	polymer	223	23325.3	1	UniProt (P00760) Pfam (PF00089) In PDB	Bos taurus	Beta-trypsin
2	I	Pancreatic trypsin inhibitor	polymer	58	6511.5	1	UniProt (P00974) Pfam (PF00014) In PDB	Bos taurus	Basic protease inhibitor, BPI, BPTI, Aprotinin
3	E	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	E, I	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	E, I	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
6	E	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
7		water	water		18.0	240	Chemie (HOH)

Sequence modifications

E: 16 - 245 (UniProt: P00760)

PDB	External Database	Details
Ias 115	Asn 117	engineered mutation

I: 1 - 58 (UniProt: P00974)

PDB	External Database	Details
Ser 14	Cys 49	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29836.8
Non-Polymers*	Number of molecules	17
	Total formula weight	1244.1
All*	Total formula weight	31080.8

*Water molecules are not included.