8P1T

Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470

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	AAA	S-adenosylmethionine synthase isoform type-2	polymer	412	45703.7	1	UniProt (P31153) Pfam (PF00438) Pfam (PF02772) Pfam (PF02773) In PDB	Homo sapiens (human)	AdoMet synthase 2,Methionine adenosyltransferase 2,MAT 2,Methionine adenosyltransferase II,MAT-II
2	AAA	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
3	AAA	6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide	non-polymer		360.4	1	Chemie (WJL)
4	AAA	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
5	AAA	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	AAA	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7		water	water		18.0	415	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	10
	Total formula weight	1189.7
All*	Total formula weight	46893.4

*Water molecules are not included.