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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4KFQ

Crystal structure of the NMDA receptor GluN1 ligand binding domain in complex with 1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0015276	molecular_function	ligand-gated monoatomic ion channel activity
A	0016020	cellular_component	membrane
B	0015276	molecular_function	ligand-gated monoatomic ion channel activity
B	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE KFQ A 301

Chain	Residue
A	PHE92
A	PRO124
A	LEU125
A	THR126
A	ARG131
A	SER180
A	GOL302

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 302

Chain	Residue
A	SER180
A	ASP224
A	KFQ301
A	GOL307
A	HOH551
A	THR126
A	GLN144

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 303

Chain	Residue
A	LYS91
A	PHE92
A	GLY93
A	THR94
A	GLN178
A	SER179
A	HOH590

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 304

Chain	Residue
A	ALA206
A	ALA207
A	GOL306
A	HOH451

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 305

Chain	Residue
A	PRO21
A	GLU243
A	LEU244
A	ARG247
A	SO4311

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 306

Chain	Residue
A	HIS12
A	GLU14
A	GOL304

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 307

Chain	Residue
A	PRO55
A	LEU146
A	TYR184
A	GOL302
A	HOH484
A	HOH495
A	HOH516
A	HOH551

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 308

Chain	Residue
A	THR33
A	PRO38
A	VAL39
A	LYS40
A	ASP69
A	THR283
A	TRP284

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 309

Chain	Residue
A	HIS12
A	GLY46
A	PRO47
A	ASP49
A	GLN61
A	LEU86
A	HOH513

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 310

Chain	Residue
A	LYS40
A	LYS41
A	ARG76

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 A 311

Chain	Residue
A	ASN48
A	SER51
A	SER54
A	ARG56
A	VAL59
A	PHE245
A	PHE246
A	ARG247
A	GOL305
A	HOH406
A	HOH611

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 312

Chain	Residue
A	PRO55
A	ARG56
A	HIS57
A	THR58
A	ASN129

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 313

Chain	Residue
A	SER168
A	HIS197
A	LYS200
A	HOH474
A	HOH594

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 314

Chain	Residue
A	ARG186
A	ARG187

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE KFQ B 301

Chain	Residue
B	PHE92
B	PRO124
B	LEU125
B	THR126
B	ARG131
B	SER180
B	GOL303
B	GOL304

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 302

Chain	Residue
B	HIS12
B	GLY46
B	PRO47
B	ASP49
B	GLN61
B	LEU86
B	HOH468

site_id	BC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 303

Chain	Residue
B	THR94
B	GLN178
B	KFQ301
B	HOH512
B	HOH562
B	LYS91
B	PHE92
B	GLY93

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 304

Chain	Residue
B	THR126
B	GLN144
B	SER180
B	VAL181
B	ASP224
B	KFQ301
B	HOH459

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 305

Chain	Residue
B	ASP37
B	PRO38
B	LYS40
B	ASP69
B	TRP284

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 306

Chain	Residue
B	HIS12
B	GLN13
B	GLU14
B	HOH428

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 307

Chain	Residue
B	PRO55
B	HIS57
B	THR58
B	ASN129

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 308

Chain	Residue
B	ARG186
B	ARG187

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 309

Chain	Residue
B	THR33
B	VAL34
B	THR283
B	TRP284
B	HOH571
B	HOH590

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 310

Chain	Residue
B	THR157
B	GLY158
B	ILE159
B	ASN160

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 311

Chain	Residue
B	ASN48
B	SER51
B	SER54
B	ARG56
B	PHE245
B	PHE246
B	ARG247
B	HOH535

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 312

Chain	Residue
A	PHE32
B	LYS152
B	GLY153
B	ARG155
B	VAL239
B	HOH444

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 313

Chain	Residue
B	PRO167
B	SER168
B	ASP169
B	HIS197
B	LYS200

site_id	DC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 B 314

Chain	Residue
B	GLN188

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16281028","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24876489","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27618671","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28468946","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"APR-2017","submissionDatabase":"PDB data bank","title":"Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, phenyl-ACEPC.","authors":["Mou T.C.","Sprang S.R.","Hansen K.B."]}},{"source":"PDB","id":"2A5T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PE5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DEX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I56","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I57","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I58","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I59","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5U8C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VIH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VII","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VIJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12805203","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16281028","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24876489","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27618671","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28468946","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"APR-2017","submissionDatabase":"PDB data bank","title":"Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, phenyl-ACEPC.","authors":["Mou T.C.","Sprang S.R.","Hansen K.B."]}},{"source":"PDB","id":"1PB7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A5T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PE5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DEX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I56","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I57","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I58","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I59","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VIH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VII","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VIJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12805203","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16281028","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24876489","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27618671","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28468946","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"APR-2017","submissionDatabase":"PDB data bank","title":"Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, phenyl-ACEPC.","authors":["Mou T.C.","Sprang S.R.","Hansen K.B."]}},{"source":"PDB","id":"1PB7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A5T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PE5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DEX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I56","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I57","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I58","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5I59","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5U8C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VIH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VII","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5VIJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	2
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"24876489","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4PE5","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24090084","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	6
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	2
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"24090084","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

248636

PDB entries from 2026-02-04

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