3UY9

Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Cationic trypsin	polymer	223	23480.5	16	UniProt (P00760) Pfam (PF00089) In PDB	Bos taurus (bovine)	Beta-trypsin, Alpha-trypsin chain 1, Alpha-trypsin chain 2
2	F, G, H, I, J...	CALCIUM ION	non-polymer		40.1	16	Chemie (CA)
3	F, G, H, I, J...	BENZAMIDINE	non-polymer		120.2	16	Chemie (BEN)
4	E, H, P	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P: 16 - 245 (UniProt: P00760)

PDB	External Database	Details
Glu 97	Asn 102	engineered mutation
Tyr 99	Leu 104	engineered mutation
Ser 172	Tyr 175	engineered mutation
Ser 173	Pro 176	engineered mutation
Phe 174	Gly 177	engineered mutation
Ile 175	Gln 178	engineered mutation
Val 183	Ala 186	engineered mutation
Ala 190	Ser 195	engineered mutation
Glu 217	Ser 218	engineered mutation
Phe 227	Val 228	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	375687.5
Non-Polymers*	Number of molecules	35
	Total formula weight	2670.0
All*	Total formula weight	378357.5

*Water molecules are not included.