3PYB

Crystal structure of ent-copalyl diphosphate synthase from Arabidopsis thaliana in complex with 13-aza-13,14-dihydrocopalyl diphosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	Ent-copalyl diphosphate synthase, chloroplastic	polymer	727	84840.3	3	UniProt (Q38802) Pfam (PF01397) In PDB	Arabidopsis thaliana (mouse-ear cress thale-cress)	AtCPS, Ent-CDP synthase, Ent-kaurene synthase A, KSA
2	A	2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate	non-polymer		453.4	1	Chemie (A3C)
3	A, B, C	PENTAETHYLENE GLYCOL	non-polymer		238.3	9	Chemie (1PE)
4		water	water		18.0	201	Chemie (HOH)

Sequence modifications

A, B, C: 85 - 802 (UniProt: Q38802)

PDB	External Database	Details
Met 84	-	expression tag
Gly 803	-	expression tag
Ser 804	-	expression tag
His 805	-	expression tag
His 806	-	expression tag
His 807	-	expression tag
His 808	-	expression tag
His 809	-	expression tag
His 810	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	254520.8
Non-Polymers*	Number of molecules	10
	Total formula weight	2597.9
All*	Total formula weight	257118.7

*Water molecules are not included.