4B1T

Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	CATIONIC TRYPSIN	polymer	223	23346.3	2	UniProt (P00760) Pfam (PF00089)	BOS TAURUS (CATTLE)	BETA-TRYPSIN, ALPHA-TRYPSIN CHAIN 1, ALPHA-TRYPSIN CHAIN 2
2	B, D (B, D)	EGLIN C	polymer	70	8116.0	2	UniProt (P01051) Pfam (PF00280)	HIRUDO MEDICINALIS (MEDICINAL LEECH)
3	E, M (A, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	F, I, J, K, N... (A, B, C, D)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
5	G, H, L, O (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	S, T, U, V (A, B, C, D)	water	water		18.0	250	Chemie (HOH)

Sequence modifications

A, C: 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
Ala 190	Ser 195	engineered mutation
Ala 195	Ser 200	engineered mutation

B, D: 1 - 70 (UniProt: P01051)

PDB	External Database	Details
Lys 45	Leu 45	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	62924.7
Non-Polymers*	Number of molecules	14
	Total formula weight	1065.2
All*	Total formula weight	63989.9

*Water molecules are not included.