5EWL

CRYSTAL STRUCTURE OF AMINO TERMINAL DOMAINS OF THE NMDA RECEPTOR SUBUNIT GLUN1 AND GLUN2B IN COMPLEX WITH MK-22

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	NMDA glutamate receptor subunit	polymer	390	43758.0	2	UniProt (Q91977) Pfam (PF01094) UniProt (by SIFTS) (A0A1L8F5J9)	Xenopus laevis (African clawed frog)
2	B, D (B, D)	Glutamate receptor ionotropic, NMDA 2B	polymer	364	41351.9	2	UniProt (Q13224) Pfam (PF01094)	Homo sapiens (Human)	GluN2B,Glutamate [NMDA] receptor subunit epsilon-2,N-methyl D-aspartate receptor subtype 2B,NR2B,N-methyl-D-aspartate receptor subunit 3,hNR3
3	E (E)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
4	F, I, J, M, N... (A, B, C)	SODIUM ION	non-polymer		23.0	6	Chemie (NA)
5	G, K, L, P, R... (A, B, C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
6	H, Q (A, C)	~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine	non-polymer		375.4	2	Chemie (5SL)
7	T, U, V, W (A, B, C, D)	water	water		18.0	269	Chemie (HOH)

Sequence modifications

A, C: 23 - 408 (UniProt: Q91977)

PDB	External Database	Details
Gln 61	Asn 61	engineered mutation
Gln 371	Asn 371	engineered mutation
Leu 409	-	expression tag
Val 410	-	expression tag
Pro 411	-	expression tag
Arg 412	-	expression tag

B, D: 31 - 394 (UniProt: Q13224)

PDB	External Database	Details
Asp 348	Asn 348	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	170219.8
Branched	Number of molecules	1
	Total formula weight	910.8
Non-Polymers*	Number of molecules	14
	Total formula weight	2216.0
All*	Total formula weight	173346.6

*Water molecules are not included.