6E7T

Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-6

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)	Glutamate receptor ionotropic, NMDA 1	polymer	385	43162.3	2	UniProt (A0A1L8F5J9) Pfam (PF01094)	Xenopus laevis (African clawed frog)	GluN1,N-methyl-D-aspartate receptor subunit NR1,NMD-R1
2	B, D (B, D)	Glutamate receptor ionotropic, NMDA 2B	polymer	363	41280.8	2	UniProt (Q00960) Pfam (PF01094)	Rattus norvegicus (Rat)	GluN2B,Glutamate [NMDA] receptor subunit epsilon-2,N-methyl D-aspartate receptor subtype 2B,NR2B
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, K, L, Q, R... (A, B, C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
5	G, S (A, C)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	H, I, J, M, N... (A, B, C, D)	CHLORIDE ION	non-polymer		35.5	11	Chemie (CL)
7	P, Z (B, D)	N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide	non-polymer		475.4	2	Chemie (HYY)
8	AA, BA, CA, DA (A, B, C, D)	water	water		18.0	317	Chemie (HOH)

Sequence modifications

A, C: 23 - 407 (UniProt: A0A1L8F5J9)

PDB	External Database	Details
Gln 61	Asn 61	engineered mutation
Gln 371	Asn 371	engineered mutation

B, D: 32 - 393 (UniProt: Q00960)

PDB	External Database	Details
Asp 348	Asn 348	engineered mutation
Met 394	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	168886.2
Branched	Number of molecules	1
	Total formula weight	910.8
Non-Polymers*	Number of molecules	21
	Total formula weight	2714.1
All*	Total formula weight	172511.1

*Water molecules are not included.