6HAR

Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	PRSS3 protein	polymer	224	24257.5	1	UniProt (Q8N2U3) Pfam (PF00089)	Homo sapiens (Human)
2	B (E)	Amyloid-beta A4 protein	polymer	80	9070.9	1	UniProt (H7C0V9) Pfam (PF00014)	Homo sapiens (Human)
3	C (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	D (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	E, F (A, E)	water	water		18.0	250	Chemie (HOH)

Sequence modifications

A: 16 - 246 (UniProt: Q8N2U3)

PDB	External Database	Details
Ala 195	Ser 204	conflict

E: 8 - 60 (UniProt: H7C0V9)

PDB	External Database	Details
Tyr -9	-	expression tag
Val -8	-	expression tag
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Lys 0	-	expression tag
Glu 1	-	expression tag
Phe 2	-	expression tag
Glu 3	-	expression tag
Val 4	-	expression tag
Cys 5	-	expression tag
Ser 6	-	expression tag
Glu 7	-	expression tag
Cys 17	Met 225	engineered mutation
Phe 18	Ile 226	engineered mutation
Cys 34	Phe 242	engineered mutation
Arg 61	-	expression tag
His 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
Ala 68	-	expression tag
Ala 69	-	expression tag
Ala 70	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	33328.4
Non-Polymers*	Number of molecules	2
	Total formula weight	102.1
All*	Total formula weight	33430.5

*Water molecules are not included.