Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99347 | Target Info | |||
| Target Name | Metabotropic glutamate receptor 5 (mGluR5) | ||||
| Synonyms | MGLUR5; GPRC1E | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GRM5 | ||||
| Biochemical Class | GPCR glutamate | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | CID 6971145 | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)[O-])[NH3+])N1C(=O)NC(=O)O1 | ||||
| InChI | 1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 | ||||
| InChIKey | ASNFTDCKZKHJSW-REOHCLBHSA-N | ||||
| PubChem Compound ID | 6971145 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7FD8 Thermostabilised full length human mGluR5-5M bound with L-quisqualic acid | ||||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
RRVVAHMPGD
34 IIIGALFSVH44 HQPTVDKVHE54 RKCGAVREQY64 GIQRVEAMLH74 TLERINSDPT 84 LLPNITLGCE94 IRDSCWHSAV104 ALEQSIEFIR114 DSLKPIVGVI147 GPGSSSVAIQ 157 VQNLLQLFNI167 PQIAYSATSM177 DLSDKTLFKY187 FMRVVPSDAQ197 QARAMVDIVK 207 RYNWTYVSAV217 HTEGNYGESG227 MEAFKDMSAK237 EGICIAHSYK247 IYSNAGEQSF 257 DKLLKKLTSH267 LPKARVVACF277 CEGMTVRGLL287 MAMRRLGLAG297 EFLLLGSDGW 307 ADRYDVTDGY317 QREAVGGITI327 KLQSPDVKWF337 DDYYLKLRPE347 TNLRNPWFQE 357 FWQHRFQCRL367 EGFPQENSKY377 NKTCNSSLTL387 KTHHVQDSKM397 GFVINAIYSM 407 AYGLHNMQMS417 LCPGYAGLCD427 AMKPIDGRKL437 LESLMKTAFT447 GVSGDTILFD 457 ENGDSPGRYE467 IMNFKEMGKD477 YFDYINVGSW487 DNGELKMDDD497 EVWSKKSNII 507 RSVCSEPCEK517 GQIKVIRKGE527 VSCCWTCTPC537 KENEYVFDEY547 TCKACQLGSW 557 PTDDLTGCDL567 IPVQYLRWGD577 PEPIAAVVFA587 CLGLLATLFV597 TVVFIIYRDT 607 PVVKSSSREL617 CYIILAGICL627 GYLCTFCLIA637 KPKQIYCYLQ647 RIGIGLSPAM 657 SYSALVTKTN667 RIARISACAQ693 LVIAFILICI703 QLGIIVALFI713 MEPPDIMHDY 723 PSIREVYLIC733 NTTNLGVVAP743 LGYNGLLILA753 CTFYAFKTRN763 VPANFNEAKY 773 IAFAMYTTCI783 IWLAFVPIYF793 GSNYKAITMC803 FSVSLSATVL813 LGCMFVPKVY 823 IILA
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| PDB ID: 6N51 Metabotropic Glutamate Receptor 5 bound to L-quisqualate and Nb43 | ||||||
| Method | Electron microscopy | Resolution | 4.00 Å | Mutation | No | [2] |
| PDB Sequence |
SERRVVAHMP
32 GDIIIGALFS42 VHHQPTVDKV52 HERKCGAVRE62 QYGIQRVEAM72 LHTLERINSD 82 PTLLPNITLG92 CEIRDSCWHS102 AVALEQSIEF112 IRDSLISSEE122 EEGLRSKKPI 143 VGVIGPGSSS153 VAIQVQNLLQ163 LFNIPQIAYS173 ATSMDLSDKT183 LFKYFMRVVP 193 SDAQQARAMV203 DIVKRYNWTY213 VSAVHTEGNY223 GESGMEAFKD233 MSAKEGICIA 243 HSYKIYSNAG253 EQSFDKLLKK263 LTSHLPKARV273 VACFCEGMTV283 RGLLMAMRRL 293 GLAGEFLLLG303 SDGWADRYDV313 TDGYQREAVG323 GITIKLQSPD333 VKWFDDYYLK 343 LRPETNHRNP353 WFQEFWQHRF363 QCRLEGFPQE373 NSKYNKTCNS383 SLTLKTHHVQ 393 DSKMGFVINA403 IYSMAYGLHN413 MQMSLCPGYA423 GLCDAMKPID433 GRKLLESLMK 443 TNFTGVSGDT453 ILFDENGDSP463 GRYEIMNFKE473 MGKDYFDYIN483 VGSWDNGELK 493 MDDDEVWSKK503 SNIIRSVCSE513 PCEKGQIKVI523 RKGEVSCCWT533 CTPCKENEYV 543 FDEYTCKACQ553 LGSWPTDDLT563 GCDLIPVQYL573 RWGDPEPIAA583 VVFACLGLLA 593 TLFVTVVFII603 YRDTPVVKSS613 SRELCYIILA623 GICLGYLCTF633 CLIAKPKQIY 643 CYLQRIGIGL653 SPAMSYSALV663 TKTNRIARIL673 AGSKKKICTK683 KPRFMSACAQ 693 LVIAFILICI703 QLGIIVALFI713 MEPPDIMHDY723 PSIREVYLIC733 NTTNLGVVTP 743 LGYNGLLILS753 CTFYAFKTRN763 VPANFNEAKY773 IAFTMYTTCI783 IWLAFVPIYF 793 GSNYKIITMC803 FSVSLSATVA813 LGCMFVPKVY823 IIL
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| PDB ID: 6N50 Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid | ||||||
| Method | X-ray diffraction | Resolution | 3.75 Å | Mutation | No | [2] |
| PDB Sequence |
RRVVAHMPGD
34 IIIGALFSVH44 HQPTVDKVHE54 RKCGAVREQY64 GIQRVEAMLH74 TLERINSDPT 84 LLPNITLGCE94 IRDSCWHSAV104 ALEQSIEFIR114 DSKPIVGVIG148 PGSSSVAIQV 158 QNLLQLFNIP168 QIAYSATSMD178 LSDKTLFKYF188 MRVVPSDAQQ198 ARAMVDIVKR 208 YNWTYVSAVH218 TEGNYGESGM228 EAFKDMSAKE238 GICIAHSYKI248 YSNAGEQSFD 258 KLLKKLTSHL268 PKARVVACFC278 EGMTVRGLLM288 AMRRLGLAGE298 FLLLGSDGWA 308 DRYDVTDGYQ318 REAVGGITIK328 LQSPDVKWFD338 DYYLKLRPET348 NHRNPWFQEF 358 WQHRFQCRLE368 GFPQENSKYN378 KTCNSSLTLK388 THHVQDSKMG398 FVINAIYSMA 408 YGLHNMQMSL418 CPGYAGLCDA428 MKPIDGRKLL438 ESLMKTNFTG448 VSGDTILFDE 458 NGDSPGRYEI468 MNFKEMGKDY478 FDYINVGSWD488 NGELKMDDDE498 VWSNIIRSVC 511 SEPCEKGQIK521 VIRKGEVSCC531 WTCTPCKENE541 YVFDEYTCKA551 CQLGSWPTDD 561 LTGCDLIP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Agonists and allosteric modulators promote signaling from different metabotropic glutamate receptor 5 conformations. Cell Rep. 2021 Aug 31;36(9):109648. | ||||
| REF 2 | Structural insights into the activation of metabotropic glutamate receptors. Nature. 2019 Feb;566(7742):79-84. | ||||
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