3BEU

Na+-Dependent Allostery Mediates Coagulation Factor Protease Active Site Selectivity

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Trypsin	polymer	224	23539.5	2	UniProt (P00775) Pfam (PF00089) In PDB	Streptomyces griseus	SGT
2	A, B	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
3	A, B	BENZAMIDINE	non-polymer		120.2	4	Chemie (BEN)
4	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6		water	water		18.0	605	Chemie (HOH)

Sequence modifications

A, B: 16 - 245 (UniProt: P00775)

PDB	External Database	Details
Phe 94	Tyr 112	engineered mutation
Thr 95	Asn 113	engineered mutation
Lys 96	Gly 114	engineered mutation
Glu 97	Thr 114	engineered mutation
Thr 98	-	SEE REMARK 999
Tyr 99	-	SEE REMARK 999
Ser 171	Ala 180	engineered mutation
Ser 172	Tyr 181	engineered mutation
Ser 173	Gly 182	engineered mutation
Phe 174	Asn 183	engineered mutation
Ile 175	Glu 184	engineered mutation
Met 180	Glu 190	engineered mutation
-	Pro 196	SEE REMARK 999
Lys 186	Gly 199	engineered mutation
Gln 187	Gly 200	engineered mutation
Glu 188	Val 201	engineered mutation
Val 208	Ile 222	engineered mutation
Glu 217	Tyr 231	engineered mutation
Lys 223	Pro 236	engineered mutation
Lys 224	Tyr 238	engineered mutation
Tyr 225	Pro 239	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47078.9
Non-Polymers*	Number of molecules	19
	Total formula weight	1663.4
All*	Total formula weight	48742.3

*Water molecules are not included.