5C67

Human Mesotrypsin in complex with amyloid precursor protein inhibitor variant APPI-M17G/I18F/F34V

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, B)	Trypsin-3	polymer	224	24257.5	2	UniProt (P35030) Pfam (PF00089)	Homo sapiens (Human)	Brain trypsinogen,Mesotrypsinogen,Serine protease 3,Serine protease 4,Trypsin III,Trypsin IV
2	B, D (E, C)	Amyloid beta A4 protein	polymer	81	9134.9	2	UniProt (P05067) Pfam (PF00014)	Homo sapiens (Human)	ABPP,APPI,APP,Alzheimer disease amyloid protein,Amyloid precursor protein,Beta-amyloid precursor protein,Cerebral vascular amyloid peptide,CVAP,PreA4,Protease nexin-II,PN-II
3	E, F, G, H (A, E, B, C)	water	water		18.0	87	Chemie (HOH)

Sequence modifications

A, B: 16 - 246 (UniProt: P35030)

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

E, C: 8 - 60 (UniProt: P05067)

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
Gly 17	Met 303	engineered mutation
Phe 18	Ile 304	engineered mutation
Val 34	Phe 320	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
Asn 71	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	66784.7
All*	Total formula weight	66784.7

*Water molecules are not included.