6J27

Crystal structure of the branched-chain polyamine synthase from Thermus thermophilus (Tth-BpsA) in complex with N4-aminopropylspermidine and 5'-methylthioadenosine

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)	N(4)-bis(aminopropyl)spermidine synthase	polymer	374	41644.3	4	UniProt (Q72L89) Pfam (PF01861)	Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039)	Branched-chain polyamine synthase A
2	E, Q (A, C)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
3	F, J, R, V (A, B, C, D)	5'-DEOXY-5'-METHYLTHIOADENOSINE	non-polymer		297.3	4	Chemie (MTA)
4	G, K, S, W (A, B, C, D)	N,N-bis(3-aminopropyl)butane-1,4-diamine	non-polymer		202.3	4	Chemie (N4P)
5	H, L, X (A, B, D)	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
6	I, M, N, O, P... (A, B, C, D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	9	Chemie (PEG)
7	AA, BA, CA, DA (A, B, C, D)	water	water		18.0	688	Chemie (HOH)

Sequence modifications

A, B, C, D: 0 - 353 (UniProt: Q72L89)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -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
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Val 1	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	166577.2
Non-Polymers*	Number of molecules	22
	Total formula weight	3516.0
All*	Total formula weight	170093.2

*Water molecules are not included.