6DUN

Crystal Structure Analysis of PIN1

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)	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	polymer	122	13605.1	2	UniProt (Q13526) Pfam (PF00639)	Homo sapiens (Human)	Peptidyl-prolyl cis-trans isomerase Pin1, PPIase Pin1, Rotamase Pin1
2	C, D (A, B)	TRIHYDROXYARSENITE(III)	non-polymer		125.9	2	Chemie (TAS)
3	E, F (A, B)	water	water		18.0	154	Chemie (HOH)

Sequence modifications

A, B: 46 - 163 (UniProt: Q13526)

PDB	External Database	Details
Gly 42	-	expression tag
Ser 43	-	expression tag
His 44	-	expression tag
Met 45	-	expression tag
Gln 77	Lys 77	engineered mutation
Gln 82	Lys 82	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27210.3
Non-Polymers*	Number of molecules	2
	Total formula weight	251.9
All*	Total formula weight	27462.2

*Water molecules are not included.