5I2N

Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Glutamate receptor ionotropic, NMDA 2A	polymer	285	31883.4	1	UniProt (Q12879) Pfam (PF10613) Pfam (PF00060) In PDB	Homo sapiens (Human)	GluN2A, Glutamate [NMDA] receptor subunit epsilon-1, N-methyl D-aspartate receptor subtype 2A, hNR2A
2	B	Glutamate receptor ionotropic, NMDA 1	polymer	293	33409.1	1	UniProt (Q05586) Pfam (PF10613) Pfam (PF00060) In PDB	Homo sapiens (Human)	GluN1, Glutamate [NMDA] receptor subunit zeta-1,N-methyl-D-aspartate receptor subunit NR1, NMD-R1
3	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	A	GLUTAMIC ACID	non-polymer		147.1	1	Chemie (GLU)
5	A	N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide	non-polymer		413.4	1	Chemie (67J)
6	B	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
7	B	GLYCINE	non-polymer		75.1	1	Chemie (GLY)
8		water	water		18.0	295	Chemie (HOH)

Sequence modifications

A: 3 - 141 (UniProt: Q12879)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag

A: 144 - 285 (UniProt: Q12879)

PDB	External Database	Details
Gly 142	-	linker
Thr 143	-	linker

B: 3 - 153 (UniProt: Q05586)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag

B: 156 - 293 (UniProt: Q05586)

PDB	External Database	Details
Gly 154	-	linker
Thr 155	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65292.5
Non-Polymers*	Number of molecules	5
	Total formula weight	914.0
All*	Total formula weight	66206.5

*Water molecules are not included.