3VEQ

A binary complex betwwen bovine pancreatic trypsin and a engineered mutant trypsin inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B	Cationic trypsin	polymer	223	23294.3	1	UniProt (P00760) Pfam (PF00089) In PDB	Bos taurus (bovine)	Beta-trypsin, Alpha-trypsin chain 1, Alpha-trypsin chain 2
2	A	Chymotrypsin inhibitor 3	polymer	183	20310.9	1	UniProt (P10822) Pfam (PF00197) In PDB	Psophocarpus tetragonolobus (Goa bean)	WCI-3
3	B	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4		water	water		18.0	159	Chemie (HOH)

Sequence modifications

B: 16 - 238 (UniProt: P00760)

PDB	External Database	Details
Val 118	Ile 126	engineered mutation
Ala 199	Ser 207	engineered mutation

A: 604 - 786 (UniProt: P10822)

PDB	External Database	Details
Arg 668	Leu 89	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43605.1
Non-Polymers*	Number of molecules	1
	Total formula weight	40.1
All*	Total formula weight	43645.2

*Water molecules are not included.