9SQ1

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

This is a non-PDB format compatible entry.

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	E, Q (A, B)	(2~{R})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]-2-azanyl-butanoic acid	non-polymer		399.4	2	Chemie (A1JV3)
3	F, FA, P, W (A, D, B, C)	(DIPHOSPHONO)AMINOPHOSPHONIC ACID	non-polymer		257.0	4	Chemie (PPK)
4	AA, G, H, I, X... (C, A)	POTASSIUM ION	non-polymer		39.1	7	Chemie (K) PubChem (813)
5	BA, CA, DA, EA, GA... (C, D, A, B)	MAGNESIUM ION	non-polymer		24.3	21	Chemie (MG) PubChem (888)
6	MA (D)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
7	NA, OA, PA, QA (A, B, C, D)	water	water		18.0	563	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	35
	Total formula weight	2633.9
All*	Total formula weight	190010.9

*Water molecules are not included.