4B2B

Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) 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	23436.4	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	71	8173.1	2	UniProt (P01051) Pfam (PF00280)	HIRUDO MEDICINALIS (MEDICINAL LEECH)
3	E, L (A, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	F, J, K, N, O... (A, B, C, D)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
5	G, H, Q, U (A, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	I, M (B, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7	V, W, X, Y (A, B, C, D)	water	water		18.0	540	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
Glu 217	Ser 218	engineered mutation
Phe 227	Val 228	engineered mutation

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

PDB	External Database	Details
Gly 0	-	expression tag
Lys 45	Leu 45	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	63219.0
Non-Polymers*	Number of molecules	17
	Total formula weight	1228.2
All*	Total formula weight	64447.2

*Water molecules are not included.