6VAJ

Crystal Structure Analysis of human PIN1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	polymer	178	19844.0	1	UniProt (Q13526) Pfam (PF00397) Pfam (PF00639) In PDB	Homo sapiens (Human)	Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1
2	A	2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide	non-polymer		281.8	1	Chemie (QT7)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
5		water	water		18.0	132	Chemie (HOH)

Sequence modifications

A: 1 - 163 (UniProt: Q13526)

PDB	External Database	Details
Gly -14	-	expression tag
Ser -13	-	expression tag
His -12	-	expression tag
Met -11	-	expression tag
Ala -10	-	expression tag
Arg -9	-	expression tag
Gly -8	-	expression tag
Cys -7	-	expression tag
Arg -6	-	expression tag
Asn -5	-	expression tag
Ser -4	-	expression tag
Ala -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Lys 0	-	expression tag
Gln 77	Lys 77	engineered mutation
Gln 82	Lys 82	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19844.0
Non-Polymers*	Number of molecules	4
	Total formula weight	668.2
All*	Total formula weight	20512.2

*Water molecules are not included.