7EFJ

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	183	20356.6	1	UniProt (Q13526) Pfam (PF00397) Pfam (PF00639) In PDB	Homo sapiens (Human)	Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1
2	A	8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one	non-polymer		328.8	1	Chemie (J2C)
3	A	3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL	non-polymer		370.4	1	Chemie (PE8)
4		water	water		18.0	104	Chemie (HOH)

Sequence modifications

A: 1 - 163 (UniProt: Q13526)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 14	Arg 14	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	20356.6
Non-Polymers*	Number of molecules	2
	Total formula weight	699.3
All*	Total formula weight	21055.8

*Water molecules are not included.