4TNS

Structure of Pin1 PPIase domain bound with all-trans retinoic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	polymer	151	16636.5	2	UniProt (Q13526) Pfam (PF00639) In PDB	Homo sapiens (Human)	Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1
2	A	RETINOIC ACID	non-polymer		300.4	1	Chemie (REA)
3		water	water		18.0	126	Chemie (HOH)

Sequence modifications

A, B: 43 - 163 (UniProt: Q13526)

PDB	External Database	Details
Met 13	-	initiating methionine
Gly 14	-	expression tag
Ser 15	-	expression tag
Ser 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
Ser 23	-	expression tag
Ser 24	-	expression tag
Gly 25	-	expression tag
Leu 26	-	expression tag
Val 27	-	expression tag
Pro 28	-	expression tag
Arg 29	-	expression tag
Gly 30	-	expression tag
Ser 31	-	expression tag
His 32	-	expression tag
Met 33	-	expression tag
Leu 34	-	expression tag
Glu 35	-	expression tag
Val 36	-	expression tag
Leu 37	-	expression tag
Phe 38	-	expression tag
Gln 39	-	expression tag
Gly 40	-	expression tag
Pro 41	-	expression tag
Gly 42	-	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	33273.0
Non-Polymers*	Number of molecules	1
	Total formula weight	300.4
All*	Total formula weight	33573.4

*Water molecules are not included.