6BX8

Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	Trypsin-3	polymer	224	24257.5	4	UniProt (P35030) Pfam (PF00089)	Homo sapiens (Human)	Brain trypsinogen,Mesotrypsinogen,Serine protease 3,Serine protease 4,Trypsin III,Trypsin IV
2	B, D, F, H (B, D, F, H)	Tissue factor pathway inhibitor	polymer	80	9681.8	4	UniProt (P10646) Pfam (PF00014)	Homo sapiens (Human)	TFPI,Extrinsic pathway inhibitor,EPI,Lipoprotein-associated coagulation inhibitor,LACI
3	I, J, K, L (B, C, F, H)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	M, N, O, P, Q... (A, B, C, D, E...)	water	water		18.0	821	Chemie (HOH)

Sequence modifications

A, C, E, G: 16 - 246 (UniProt: P35030)

PDB	External Database	Details
Ala 127	Thr 188	conflict
Ala 195	Ser 257	engineered mutation

B, D, F, H: 1 - 58 (UniProt: P10646)

PDB	External Database	Details
Tyr -11	-	expression tag
Val -10	-	expression tag
Asp -9	-	expression tag
Tyr -8	-	expression tag
Lys -7	-	expression tag
Asp -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Lys -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag
Arg 15	Lys 64	engineered mutation
Cys 17	Ile 66	engineered mutation
Cys 34	Ile 83	engineered mutation
Pro 59	-	expression tag
Arg 60	-	expression tag
His 61	-	expression tag
His 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag
Ala 67	-	expression tag
Asn 68	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	135757.1
Non-Polymers*	Number of molecules	4
	Total formula weight	384.3
All*	Total formula weight	136141.4

*Water molecules are not included.