6J28

Crystal structure of the branched-chain polyamine synthase C9 mutein from Thermus thermophilus (Tth-BpsA C9) 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	N(4)-bis(aminopropyl)spermidine synthase	polymer	375	41734.3	4	UniProt (Q72L89) Pfam (PF01861) In PDB	Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039)	Branched-chain polyamine synthase A
2	A, B, C, D	N,N-bis(3-aminopropyl)butane-1,4-diamine	non-polymer		202.3	4	Chemie (N4P)
3	A, B, C, D	5'-DEOXY-5'-METHYLTHIOADENOSINE	non-polymer		297.3	4	Chemie (MTA)
4	A, B	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
5	B, C, D	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	3	Chemie (MES)
6		water	water		18.0	499	Chemie (HOH)

Sequence modifications

A, B, C, D: 0 - 354 (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
Tyr 346	-	See sequence details
Asp 347	-	See sequence details
Asp 348	-	See sequence details
Glu 349	-	See sequence details
Glu 350	-	See sequence details
Ser 351	-	See sequence details
Ser 352	-	See sequence details
Thr 353	-	See sequence details
Thr 354	-	See sequence details

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	166937.4
Non-Polymers*	Number of molecules	13
	Total formula weight	2696.1
All*	Total formula weight	169633.5

*Water molecules are not included.