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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
ChainGOidnamespacecontents
A0015276molecular_functionligand-gated monoatomic ion channel activity
A0016020cellular_componentmembrane
B0015276molecular_functionligand-gated monoatomic ion channel activity
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE KFQ A 301
ChainResidue
APHE92
APRO124
ALEU125
ATHR126
AARG131
ASER180
AGOL302

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 302
ChainResidue
ASER180
AASP224
AKFQ301
AGOL307
AHOH551
ATHR126
AGLN144

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 303
ChainResidue
ALYS91
APHE92
AGLY93
ATHR94
AGLN178
ASER179
AHOH590

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 304
ChainResidue
AALA206
AALA207
AGOL306
AHOH451

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 305
ChainResidue
APRO21
AGLU243
ALEU244
AARG247
ASO4311

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 306
ChainResidue
AHIS12
AGLU14
AGOL304

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 307
ChainResidue
APRO55
ALEU146
ATYR184
AGOL302
AHOH484
AHOH495
AHOH516
AHOH551

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 308
ChainResidue
ATHR33
APRO38
AVAL39
ALYS40
AASP69
ATHR283
ATRP284

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 309
ChainResidue
AHIS12
AGLY46
APRO47
AASP49
AGLN61
ALEU86
AHOH513

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 310
ChainResidue
ALYS40
ALYS41
AARG76

site_idBC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 A 311
ChainResidue
AASN48
ASER51
ASER54
AARG56
AVAL59
APHE245
APHE246
AARG247
AGOL305
AHOH406
AHOH611

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 312
ChainResidue
APRO55
AARG56
AHIS57
ATHR58
AASN129

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 313
ChainResidue
ASER168
AHIS197
ALYS200
AHOH474
AHOH594

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 314
ChainResidue
AARG186
AARG187

site_idBC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE KFQ B 301
ChainResidue
BPHE92
BPRO124
BLEU125
BTHR126
BARG131
BSER180
BGOL303
BGOL304

site_idBC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 302
ChainResidue
BHIS12
BGLY46
BPRO47
BASP49
BGLN61
BLEU86
BHOH468

site_idBC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 303
ChainResidue
BTHR94
BGLN178
BKFQ301
BHOH512
BHOH562
BLYS91
BPHE92
BGLY93

site_idBC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 304
ChainResidue
BTHR126
BGLN144
BSER180
BVAL181
BASP224
BKFQ301
BHOH459

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 305
ChainResidue
BASP37
BPRO38
BLYS40
BASP69
BTRP284

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 306
ChainResidue
BHIS12
BGLN13
BGLU14
BHOH428

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 307
ChainResidue
BPRO55
BHIS57
BTHR58
BASN129

site_idCC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL B 308
ChainResidue
BARG186
BARG187

site_idCC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 309
ChainResidue
BTHR33
BVAL34
BTHR283
BTRP284
BHOH571
BHOH590

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 310
ChainResidue
BTHR157
BGLY158
BILE159
BASN160

site_idCC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 311
ChainResidue
BASN48
BSER51
BSER54
BARG56
BPHE245
BPHE246
BARG247
BHOH535

site_idCC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 312
ChainResidue
APHE32
BLYS152
BGLY153
BARG155
BVAL239
BHOH444

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 313
ChainResidue
BPRO167
BSER168
BASP169
BHIS197
BLYS200

site_idDC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SO4 B 314
ChainResidue
BGLN188

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:24876489, ECO:0007744|PDB:1PB7, ECO:0007744|PDB:2A5T, ECO:0007744|PDB:4NF5, ECO:0007744|PDB:4NF6, ECO:0007744|PDB:4NF8, ECO:0007744|PDB:4PE5, ECO:0007744|PDB:5DEX, ECO:0007744|PDB:5I56, ECO:0007744|PDB:5I57, ECO:0007744|PDB:5I58, ECO:0007744|PDB:5I59, ECO:0007744|PDB:5U8C, ECO:0007744|PDB:5VIH, ECO:0007744|PDB:5VII, ECO:0007744|PDB:5VIJ
ChainResidueDetails
APRO124
BPRO124

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:16281028, ECO:0000269|PubMed:24876489, ECO:0007744|PDB:1PB7, ECO:0007744|PDB:2A5T, ECO:0007744|PDB:4NF5, ECO:0007744|PDB:4NF6, ECO:0007744|PDB:4NF8, ECO:0007744|PDB:4PE5, ECO:0007744|PDB:5DEX, ECO:0007744|PDB:5I56, ECO:0007744|PDB:5I57, ECO:0007744|PDB:5I58, ECO:0007744|PDB:5I59, ECO:0007744|PDB:5U8C, ECO:0007744|PDB:5VIH, ECO:0007744|PDB:5VII, ECO:0007744|PDB:5VIJ
ChainResidueDetails
AASP224
BARG131
BSER180
BASP224
AARG131
ASER180

site_idSWS_FT_FI3
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:24876489, ECO:0007744|PDB:4PE5, ECO:0007744|PubMed:24090084
ChainResidueDetails
AASN48
BASN48

site_idSWS_FT_FI4
Number of Residues6
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN166
BASN79
BASN99
BASN166
AASN79
AASN99

site_idSWS_FT_FI5
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0007744|PubMed:24090084
ChainResidueDetails
AASN263
BASN263

221051

PDB entries from 2024-06-12

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