9SUP

S-Adenosylmethionine synthetase of Thermococcus kodakarensis in complex with (S,S)-SAM and PPNP

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)	S-adenosylmethionine synthase	polymer	425	46844.3	4	UniProt (Q5JF22) Pfam (PF01941)	Thermococcus kodakarensis	AdoMet synthase,Methionine adenosyltransferase
2	AA, E, F, G, H... (D, A, B, C)	MAGNESIUM ION	non-polymer		24.3	14	Chemie (MG) PubChem (888)
3	BA, J, K, L, R... (D, A, B)	POTASSIUM ION	non-polymer		39.1	6	Chemie (K) PubChem (813)
4	M, T, X (B, C, D)	(DIPHOSPHONO)AMINOPHOSPHONIC ACID	non-polymer		257.0	3	Chemie (PPK)
5	N (B)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
6	CA (D)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
7	DA, EA, FA, GA (A, B, C, D)	water	water		18.0	149	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 405 (UniProt: Q5JF22)

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	187377.1
Non-Polymers*	Number of molecules	25
	Total formula weight	1767.2
All*	Total formula weight	189144.3

*Water molecules are not included.