4B2C

Structure of the factor Xa-like trypsin variant triple-Ala (TPA) 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	23394.4	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, S (A, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	DA, EA, F, FA, G... (D, A, B, C)	GLYCEROL	non-polymer		92.1	20	Chemie (GOL)
5	K, T (B, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	AA, BA, CA, R (C, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
7	GA, HA, IA, JA (A, B, C, D)	water	water		18.0	505	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
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	63134.9
Non-Polymers*	Number of molecules	28
	Total formula weight	2241.2
All*	Total formula weight	65376.1

*Water molecules are not included.