7XII

Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) & aminopropylagmatine

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, D (A, B, C, D)	Polyamine aminopropyltransferase	polymer	309	34859.8	4	UniProt (A3MU81) Pfam (PF17284) Pfam (PF01564)	Pyrobaculum calidifontis	Putrescine aminopropyltransferase,PAPT,Spermidine synthase,SPDS,SPDSY
2	E, H, J, L (A, B, C, D)	5'-DEOXY-5'-METHYLTHIOADENOSINE	non-polymer		297.3	4	Chemie (MTA)
3	F, I, K, M (A, B, C, D)	1-{4-[(3-aminopropyl)amino]butyl}guanidine	non-polymer		187.3	4	Chemie (AG3)
4	G (A)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
5	N, O, P, Q (A, B, C, D)	water	water		18.0	543	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 289 (UniProt: A3MU81)

PDB	External Database	Details
Met -19	-	initiating methionine
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	4
	Total formula weight	139439.0
Non-Polymers*	Number of molecules	9
	Total formula weight	2176.8
All*	Total formula weight	141615.8

*Water molecules are not included.