9DA9

Crystal structure of GluN1/GluN2A agonist-binding domains in complex with 7CKA and glutamate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Glutamate receptor ionotropic, NMDA 1	polymer	292	33340.0	1	UniProt (P35438) Pfam (PF10613) Pfam (PF00060) UniProt (by SIFTS) (P35439)	Rattus norvegicus (Norway rat)	GluN1,Glutamate [NMDA] receptor subunit zeta-1,N-methyl-D-aspartate receptor subunit NR1,NMD-R1
2	B (B)	Glutamate receptor ionotropic, NMDA 2A	polymer	283	31785.3	1	UniProt (Q00959) Pfam (PF10613) Pfam (PF00060)	Rattus norvegicus (Norway rat)	GluN2A,Glutamate [NMDA] receptor subunit epsilon-1,N-methyl D-aspartate receptor subtype 2A,NMDAR2A,NR2A
3	C (A)	7-Chlorokynurenic acid	non-polymer		223.6	1	Chemie (CKA)
4	D (B)	GLUTAMIC ACID	non-polymer		147.1	1	Chemie (GLU)
5	E, F (A, B)	water	water		18.0	202	Chemie (HOH)

Sequence modifications

A: 2 - 292 (UniProt: P35438)

PDB	External Database	Details
Gly 1	-	expression tag
Ile 68	Val 460	conflict
-	Glu 545	deletion
-	Ile 546	deletion
-	Pro 547	deletion
-	Arg 548	deletion
-	Ser 549	deletion
-	Thr 550	deletion
-	Leu 551	deletion
-	Asp 552	deletion
-	Ser 553	deletion
-	Phe 554	deletion
-	Met 555	deletion
-	Gln 556	deletion
-	Pro 557	deletion
-	Phe 558	deletion
-	Gln 559	deletion
-	Ser 560	deletion
-	Thr 561	deletion
-	Leu 562	deletion
-	Trp 563	deletion
-	Leu 564	deletion
-	Leu 565	deletion
-	Val 566	deletion
-	Gly 567	deletion
-	Leu 568	deletion
-	Ser 569	deletion
-	Val 570	deletion
-	His 571	deletion
-	Val 572	deletion
-	Val 573	deletion
-	Ala 574	deletion
-	Val 575	deletion
-	Met 576	deletion
-	Leu 577	deletion
-	Tyr 578	deletion
-	Leu 579	deletion
-	Leu 580	deletion
-	Asp 581	deletion
-	Arg 582	deletion
-	Phe 583	deletion
-	Ser 584	deletion
-	Pro 585	deletion
-	Phe 586	deletion
-	Gly 587	deletion
-	Arg 588	deletion
-	Phe 589	deletion
-	Lys 590	deletion
-	Val 591	deletion
-	Asn 592	deletion
-	Ser 593	deletion
-	Glu 594	deletion
-	Glu 595	deletion
-	Glu 596	deletion
-	Glu 597	deletion
-	Glu 598	deletion
-	Asp 599	deletion
-	Ala 600	deletion
-	Leu 601	deletion
-	Thr 602	deletion
-	Leu 603	deletion
-	Ser 604	deletion
-	Ser 605	deletion
-	Ala 606	deletion
-	Met 607	deletion
-	Trp 608	deletion
-	Phe 609	deletion
-	Ser 610	deletion
-	Trp 611	deletion
-	Gly 612	deletion
-	Val 613	deletion
-	Leu 614	deletion
-	Leu 615	deletion
-	Asn 616	deletion
-	Ser 617	deletion
-	Gly 618	deletion
-	Ile 619	deletion
-	Gly 620	deletion
-	Glu 621	deletion
-	Gly 622	deletion
-	Ala 623	deletion
-	Pro 624	deletion
-	Arg 625	deletion
-	Ser 626	deletion
-	Phe 627	deletion
-	Ser 628	deletion
-	Ala 629	deletion
-	Arg 630	deletion
-	Ile 631	deletion
-	Leu 632	deletion
-	Gly 633	deletion
-	Met 634	deletion
-	Val 635	deletion
-	Trp 636	deletion
-	Ala 637	deletion
-	Gly 638	deletion
-	Phe 639	deletion
-	Ala 640	deletion
-	Met 641	deletion
-	Ile 642	deletion
-	Ile 643	deletion
-	Val 644	deletion
-	Ala 645	deletion
-	Ser 646	deletion
-	Tyr 647	deletion
-	Thr 648	deletion
-	Ala 649	deletion
-	Asn 650	deletion
-	Leu 651	deletion
-	Ala 652	deletion
-	Ala 653	deletion
-	Phe 654	deletion
-	Leu 655	deletion
-	Val 656	deletion
-	Leu 657	deletion
-	Asp 658	deletion
-	Arg 659	deletion
-	Pro 660	deletion
Gly 153	Glu 661	conflict
Thr 154	Glu 662	conflict

B: 5 - 286 (UniProt: Q00959)

PDB	External Database	Details
Ser 4	-	expression tag
-	Ser 540	deletion
-	Asn 541	deletion
-	Gly 542	deletion
-	Thr 543	deletion
-	Val 544	deletion
-	Ser 545	deletion
-	Pro 546	deletion
-	Ser 547	deletion
-	Ala 548	deletion
-	Phe 549	deletion
-	Leu 550	deletion
-	Glu 551	deletion
-	Pro 552	deletion
-	Phe 553	deletion
-	Ser 554	deletion
-	Ala 555	deletion
-	Ser 556	deletion
-	Val 557	deletion
-	Trp 558	deletion
-	Val 559	deletion
-	Met 560	deletion
-	Met 561	deletion
-	Phe 562	deletion
-	Val 563	deletion
-	Met 564	deletion
-	Leu 565	deletion
-	Leu 566	deletion
-	Ile 567	deletion
-	Val 568	deletion
-	Ser 569	deletion
-	Ala 570	deletion
-	Ile 571	deletion
-	Ala 572	deletion
-	Val 573	deletion
-	Phe 574	deletion
-	Val 575	deletion
-	Phe 576	deletion
-	Glu 577	deletion
-	Tyr 578	deletion
-	Phe 579	deletion
-	Ser 580	deletion
-	Pro 581	deletion
-	Val 582	deletion
-	Gly 583	deletion
-	Tyr 584	deletion
-	Asn 585	deletion
-	Arg 586	deletion
-	Asn 587	deletion
-	Leu 588	deletion
-	Ala 589	deletion
-	Lys 590	deletion
-	Gly 591	deletion
-	Lys 592	deletion
-	Ala 593	deletion
-	Pro 594	deletion
-	His 595	deletion
-	Gly 596	deletion
-	Pro 597	deletion
-	Ser 598	deletion
-	Phe 599	deletion
-	Thr 600	deletion
-	Ile 601	deletion
-	Gly 602	deletion
-	Lys 603	deletion
-	Ala 604	deletion
-	Ile 605	deletion
-	Trp 606	deletion
-	Leu 607	deletion
-	Leu 608	deletion
-	Trp 609	deletion
-	Gly 610	deletion
-	Leu 611	deletion
-	Val 612	deletion
-	Phe 613	deletion
-	Asn 614	deletion
-	Asn 615	deletion
-	Ser 616	deletion
-	Val 617	deletion
-	Pro 618	deletion
-	Val 619	deletion
-	Gln 620	deletion
-	Asn 621	deletion
-	Pro 622	deletion
-	Lys 623	deletion
-	Gly 624	deletion
-	Thr 625	deletion
-	Thr 626	deletion
-	Ser 627	deletion
-	Lys 628	deletion
-	Ile 629	deletion
-	Met 630	deletion
-	Val 631	deletion
-	Ser 632	deletion
-	Val 633	deletion
-	Trp 634	deletion
-	Ala 635	deletion
-	Phe 636	deletion
-	Phe 637	deletion
-	Ala 638	deletion
-	Val 639	deletion
-	Ile 640	deletion
-	Phe 641	deletion
-	Leu 642	deletion
-	Ala 643	deletion
-	Ser 644	deletion
-	Tyr 645	deletion
-	Thr 646	deletion
-	Ala 647	deletion
-	Asn 648	deletion
-	Leu 649	deletion
-	Ala 650	deletion
-	Ala 651	deletion
-	Phe 652	deletion
-	Met 653	deletion
-	Ile 654	deletion
-	Gln 655	deletion
-	Glu 656	deletion
-	Glu 657	deletion
-	Phe 658	deletion
Gly 143	Val 659	conflict
Thr 144	Asp 660	conflict
Thr 242	Ser 758	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65125.3
Non-Polymers*	Number of molecules	2
	Total formula weight	370.7
All*	Total formula weight	65496.1

*Water molecules are not included.