8P1W

Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591

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 (AAA)	S-adenosylmethionine synthase isoform type-2	polymer	412	45703.7	1	UniProt (P31153) Pfam (PF00438) Pfam (PF02772) Pfam (PF02773)	Homo sapiens (human)	AdoMet synthase 2,Methionine adenosyltransferase 2,MAT 2,Methionine adenosyltransferase II,MAT-II
2	B (AAA)	5'-DEOXY-5'-METHYLTHIOADENOSINE	non-polymer		297.3	1	Chemie (MTA)
3	C (AAA)	ALPHA-AMINOBUTYRIC ACID	non-polymer		103.1	1	Chemie (ABA)
4	D (AAA)	8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine	non-polymer		336.4	1	Chemie (WK5)
5	E, F, G (AAA)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6	H, I, J, K, L (AAA)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
7	M (AAA)	water	water		18.0	406	Chemie (HOH)

Sequence modifications

AAA: 2 - 395 (UniProt: P31153)

PDB	External Database	Details
Met -16	-	initiating methionine
Ala -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45703.7
Non-Polymers*	Number of molecules	11
	Total formula weight	1153.5
All*	Total formula weight	46857.2

*Water molecules are not included.