5TPA

Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500)

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) Pfam (PF00497) 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) Pfam (PF00497) In PDB	Homo sapiens (Human)	GluN1, Glutamate [NMDA] receptor subunit zeta-1, N-methyl-D-aspartate receptor subunit NR1, NMD-R1
3	A	GLUTAMIC ACID	non-polymer		147.1	1	Chemie (GLU)
4	A	(1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile	non-polymer		407.8	1	Chemie (7H2)
5	B	GLYCINE	non-polymer		75.1	1	Chemie (GLY)
6		water	water		18.0	147	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	3
	Total formula weight	630.0
All*	Total formula weight	65922.5

*Water molecules are not included.