7PXO

Structure of the Diels Alderase enzyme AbyU, from Micromonospora maris, co-crystallised with a non transformable substrate analogue

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	D, A, B, C	YD repeat-containing protein	polymer	160	17763.9	4	UniProt (F4F7G1) Pfam (PF18678) In PDB	Micromonospora maris AB-18-032
2	D, A, B	(2~{S},4~{S})-1-(4-methoxy-5-methyl-2-oxidanylidene-3~{H}-furan-3-yl)-2,4-dimethyl-dodecane-1,5-dione	non-polymer		352.5	3	Chemie (8IF)
3	D, C	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	3	Chemie (EPE)
4		water	water		18.0	42	Chemie (HOH)

Sequence modifications

D, A, B, C: 1 - 141 (UniProt: F4F7G1)

PDB	External Database	Details
Met -18	-	initiating methionine
Ala -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	71055.6
Non-Polymers*	Number of molecules	6
	Total formula weight	1772.3
All*	Total formula weight	72827.9

*Water molecules are not included.