8P4H

Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A

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 isoform type-2	polymer	412	45719.7	4	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	E, L, O, S (A, B, C, D)	7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one	non-polymer		343.8	4	Chemie (UM6)
3	F, G, H, I, N... (A, B, C, D)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
4	J, R (B, D)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	K, Q (B, D)	S-ADENOSYLMETHIONINE	non-polymer		398.4	2	Chemie (SAM)
6	M, U (B, D)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7	V, W, X, Y (A, B, C, D)	water	water		18.0	1075	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	182878.7
Non-Polymers*	Number of molecules	17
	Total formula weight	2936.2
All*	Total formula weight	185814.9

*Water molecules are not included.