4LAY

Crystal Structure Analysis of FKBP52, Complex with I63

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Peptidyl-prolyl cis-trans isomerase FKBP4	polymer	280	31365.4	1	UniProt (Q02790) Pfam (PF00254)	Homo sapiens (human)	PPIase FKBP4, 52 kDa FK506-binding protein, 52 kDa FKBP, FKBP-52, 59 kDa immunophilin, p59, FK506-binding protein 4, FKBP-4, FKBP59, HSP-binding immunophilin, HBI, Immunophilin FKBP52, Rotamase
2	B (A)	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid	non-polymer		583.7	1	Chemie (I63)
3	C (A)	water	water		18.0	266	Chemie (HOH)

Sequence modifications

A: 1 - 260 (UniProt: Q02790)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	31365.4
Non-Polymers*	Number of molecules	1
	Total formula weight	583.7
All*	Total formula weight	31949.1

*Water molecules are not included.