8GDY

Crystal structure of the human PDI first domain with 9 mutations

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Protein disulfide-isomerase	polymer	141	15831.6	2	UniProt (P07237) Pfam (PF00085)	Homo sapiens (human)	PDI,Cellular thyroid hormone-binding protein,Prolyl 4-hydroxylase subunit beta,p55
2	C, E (A, B)	THIOCYANATE ION	non-polymer		58.1	2	Chemie (SCN)
3	D (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	F, G (A, B)	water	water		18.0	142	Chemie (HOH)

Sequence modifications

A, B: 18 - 137 (UniProt: P07237)

PDB	External Database	Details
Met -3	-	initiating methionine
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
Ser 7	-	expression tag
Ser 8	-	expression tag
Gly 9	-	expression tag
Leu 10	-	expression tag
Val 11	-	expression tag
Pro 12	-	expression tag
Arg 13	-	expression tag
Gly 14	-	expression tag
Ser 15	-	expression tag
His 16	-	expression tag
Met 17	-	expression tag
Arg 31	Lys 31	engineered mutation
Arg 42	Lys 42	engineered mutation
Arg 57	Lys 57	engineered mutation
Arg 65	Lys 65	engineered mutation
Arg 69	Lys 69	engineered mutation
Arg 71	Lys 71	engineered mutation
Arg 114	Lys 114	engineered mutation
Arg 130	Lys 130	engineered mutation
Arg 131	Lys 131	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	31663.2
Non-Polymers*	Number of molecules	3
	Total formula weight	178.2
All*	Total formula weight	31841.4

*Water molecules are not included.