Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T62820 | Target Info | |||
| Target Name | Metabotropic glutamate receptor 2 (mGluR2) | ||||
| Synonyms | mGLUR2; Group II metabotropic glutamate receptor; Glutamate receptor mGLU2; GPRC1B | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GRM2 | ||||
| Biochemical Class | GPCR glutamate | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | LY354740 | Ligand Info | |||
| Canonical SMILES | C1CC(C2C1C2C(=O)O)(C(=O)O)N | ||||
| InChI | 1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1 | ||||
| InChIKey | VTAARTQTOOYTES-RGDLXGNYSA-N | ||||
| PubChem Compound ID | 213056 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7EPB Cryo-EM structure of LY354740-bound mGlu2 homodimer | ||||||
| Method | Electron microscopy | Resolution | 3.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
AKKVLTLEGD
31 LVLGGLFPVH41 QKGGPAEDCG51 PVNEHRGIQR61 LEAMLFALDR71 INRDPHLLPG 81 VRLGAHILDS91 CSKDTHALEQ101 ALDFVRASLS111 RGADGSRHIC121 PDGSYATHGD 131 APTAITGVIG141 GSYSDVSIQV151 ANLLRLFQIP161 QISYASTSAK171 LSDKSRYDYF 181 ARTVPPDFFQ191 AKAMAEILRF201 FNWTYVSTVA211 SEGDYGETGI221 EAFELEARAR 231 NICVATSEKV241 GRAMSRAAFE251 GVVRALLQKP261 SARVAVLFTR271 SEDARELLAA 281 SQRLNASFTW291 VASDGWGALE301 SVVAGSEGAA311 EGAITIELAS321 YPISDFASYF 331 QSLDPWNNSR341 NPWFREFWEQ351 RFRCSFRQRD361 CAAHSLRAVP371 FEQESKIMFV 381 VNAVYAMAHA391 LHNMHRALCP401 NTTRLCDAMR411 PVNGRRLYKD421 FVLNVKFDAP 431 FRPADTHNEV441 RFDRFGDGIG451 RYNIFTYLRA461 GSGRYRYQKV471 GYWAEGLTLD 481 TSLIPWASPS491 AGPLPASRCS501 EPCLQNEVKS511 VQPGEVCCWL521 CIPCQPYEYR 531 LDEFTCADCG541 LGYWPNASLT551 GCFELPQEYI561 RWGDAWAVGP571 VTIACLGALA 581 TLFVLGVFVR591 HNATPVVKAA601 GRELCYILLG611 GVFLCYCMTF621 IFIAKPSTAV 631 CTLRRLGLGT641 AFSVCYSALL651 TKTNRIARAS678 QVAICLALIS688 GQLLIVVAWL 698 VVEAPGTGKE708 TAPERREVVT718 LRCNHRDASM728 LGSLAYNVLL738 IALCTLYAFK 748 TRKCPENFNE758 AKFIGFTMYT768 TCIIWLAFLP778 IFYVTSSDYR788 VQTTTMCVSV 798 SLSGSVVLGC808 LFAPKLHII
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| PDB ID: 7E9G Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu2 | ||||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
KKVLTLEGDL
32 VLGGLFPVHQ42 KGGPAEDCGP52 VNEHRGIQRL62 EAMLFALDRI72 NRDPHLLPGV 82 RLGAHILDSC92 SKDTHALEQA102 LDFVRASLIT137 GVIGGSYSDV147 SIQVANLLRL 157 FQIPQISYAS167 TSAKLSDKSR177 YDYFARTVPP187 DFFQAKAMAE197 ILRFFNWTYV 207 STVASEGDYG217 ETGIEAFELE227 ARARNICVAT237 SEKVGRAMSR247 AAFEGVVRAL 257 LQKPSARVAV267 LFTRSEDARE277 LLAASQRLNA287 SFTWVASDGW297 GALESVVAGS 307 EGAAEGAITI317 ELASYPISDF327 ASYFQSLDPW337 NNSRNPWFRE347 FWEQRFRCSF 357 RQRDCAAHSL367 RAVPFEQESK377 IMFVVNAVYA387 MAHALHNMHR397 ALCPNTTRLC 407 DAMRPVNGRR417 LYKDFVLNVK427 FDAPFRPADT437 HNEVRFDRFG447 DGIGRYNIFT 457 YLRAGSGRYR467 YQKVGYWAEG477 LTLDTSLIPW487 ASPSAGPLPA497 SRCSEPCLQN 507 EVKSVQPGEV517 CCWLCIPCQP527 YEYRLDEFTC537 ADCGLGYWPN547 ASLTGCFELP 557 QEYIRWGDAW567 AVGPVTIACL577 GALATLFVLG587 VFVRHNATPV597 VKAAGRELCY 607 ILLGGVFLCY617 CMTFIFIAKP627 STAVCTLRRL637 GLGTAFSVCY647 SALLTKTNRI 657 ARIFGGAREG667 AQRPRFISPA677 SQVAICLALI687 SGQLLIVVAW697 LVVEAPGTGK 707 ETAPERREVV717 TLRCNHRDAS727 MLGSLAYNVL737 LIALCTLYAF747 KTRKCPENFN 757 EAKFIGFTMY767 TTCIIWLAFL777 PIFYVTSSDY787 RVQTTTMCVS797 VSLSGSVVLG 807 CLFAPKLHI
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| PDB ID: 4XAQ mGluR2 ECD and mGluR3 ECD with ligands | ||||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [3] |
| PDB Sequence |
AKKVLTLEGD
31 LVLGGLFPVH41 QKGGPAEDCG51 PVNEHRGIQR61 LEAMLFALDR71 INRDPHLLPG 81 VRLGAHILDS91 CSKDTHALEQ101 ALDFVRASLT134 AITGVIGGSY144 SDVSIQVANL 154 LRLFQIPQIS164 YASTSAKLSD174 KSRYDYFART184 VPPDFFQAKA194 MAEILRFFNW 204 TYVSTVASEG214 DYGETGIEAF224 ELEARARNIS234 VATSEKVGRA244 MSRAAFEGVV 254 RALLQKPSAR264 VAVLFTRSED274 ARELLAASQR284 LNASFTWVAS294 DGWGALEEVV 304 AGSEGAAEGA314 ITIELASYPI324 SDFASYFQSL334 DPWNNSRNPW344 FREFWEQRFR 354 CSFRQRDCAA364 HSLRAVPFEQ374 ESKIMFVVNA384 VYAMAHALHN394 MHRALCPNTT 404 RLCDAMRPVN414 GRRLYKDFVL424 NVKFDAPFRP434 ADTHNEVRFD444 RFGDGIGRYN 454 IFTYLRAGSG464 RYRYQKVGYW474 AEGLTLDTSL484 IPW
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of human mGlu2 and mGlu7 homo- and heterodimers. Nature. 2021 Jun;594(7864):589-593. | ||||
| REF 2 | Structures of G(i)-bound metabotropic glutamate receptors mGlu2 and mGlu4. Nature. 2021 Jun;594(7864):583-588. | ||||
| REF 3 | Synthesis and pharmacological characterization of C4-disubstituted analogs of 1S,2S,5R,6S-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: identification of a potent, selective metabotropic glutamate receptor agonist and determination of agonist-bound human mGlu2 and mGlu3 amino terminal domain structures. J Med Chem. 2015 Feb 26;58(4):1776-94. | ||||
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