5XNC

Crystal structure of the branched-chain polyamine synthase (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, E... (A, B, C, D, E...)	N(4)-bis(aminopropyl)spermidine synthase	polymer	371	42445.9	7	UniProt (Q5JIZ3) Pfam (PF01861)	Thermococcus kodakarensis (strain ATCC BAA-918 / JCM 12380 / KOD1)	Branched-chain polyamine synthase A
2	EA, GA, H, O, R... (F, G, A, B, C...)	5'-DEOXY-5'-METHYLTHIOADENOSINE	non-polymer		297.3	7	Chemie (MTA)
3	AA, FA, HA, I, P... (E, F, G, A, B...)	N,N-bis(3-aminopropyl)butane-1,4-diamine	non-polymer		202.3	7	Chemie (N4P)
4	J, K, L, Q, W (A, B, D)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	BA, IA, M, T (E, G, A, C)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
6	DA, N (E, A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
7	CA, X, Y (E, D)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
8	JA, KA, LA, MA, NA... (A, B, C, D, E...)	water	water		18.0	1061	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G: 1 - 351 (UniProt: Q5JIZ3)

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	7
	Total formula weight	297121.6
Non-Polymers*	Number of molecules	28
	Total formula weight	4580.0
All*	Total formula weight	301701.6

*Water molecules are not included.