Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02719 | Target Info | |||
| Target Name | Metabotropic glutamate receptor 3 (mGluR3) | ||||
| Synonyms | mGLUR3; Group III metabotropic glutamate receptor; GPRC1C | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GRM3 | ||||
| Biochemical Class | GPCR glutamate | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: LY354740 | Ligand Info | |||||
| Structure Description | mGluR2 ECD and mGluR3 ECD complex with ligands | PDB:4XAR | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | Yes | [1] |
| PDB Sequence |
RREIKIEGDL
39 VLGGLFPINE49 KGTGTEECGR59 INEDRGIQRL69 EAMLFAIDEI79 NKDDYLLPGV 89 KLGVHILDTC99 SRDTYALEQS109 LEFVRASLLL141 IAGVIGGSYS151 SVSIQVANLL 161 RLFQIPQISY171 ASTSAKLSDK181 SRYDYFARTV191 PPDFYQAKAM201 AEILRFFNWT 211 YVSTVASEGD221 YGETGIEAFE231 QEARLRNISI241 ATAEKVGRSN251 IRKSYDSVIR 261 ELLQKPNARV271 VVLFMRSDDS281 RELIAAASRA291 NASFTWVASD301 GWGAQESIIK 311 GSEHVAYGAI321 TLELASQPVR331 QFDRYFQSLN341 PYNNHRNPWF351 RDFWEQKFQC 361 SLRVCDKHLA378 IDSSNYEQES388 KIMFVVNAVY398 AMAHALHKMQ408 RTLCPNTTKL 418 CDAMKILDGK428 KLYKDYLLKI438 NFTAPDADSI453 VKFDTFGDGM463 GRYNVFNFQN 473 VGGKYSYLKV483 GHWAETLSLD493 VNSIHWSRNS503 VPTSE
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| Ligand Name: [3H]LY341495 | Ligand Info | |||||
| Structure Description | Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist | PDB:3SM9 | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [2] |
| PDB Sequence |
RREIKIEGDL
14 VLGGLFPINE24 KGTTEECGRI35 NEDRGIQRLE45 AMLFAIDEIN55 KDDYLLPGVK 65 LGVHILDTCS75 RDTYALEQSL85 EFVRASLLIA118 GVIGGSYSSV128 SIQVANLLRL 138 FQIPQISYAS148 TSAKLSDKSR158 YDYFARTVPP168 DFYQAKAMAE178 ILRFFNWTYV 188 STVASEGDYG198 ETGIEAFEQE208 ARLRNISIAT218 AEKVGRIRKS230 YDSVIRELLQ 240 KPNARVVVLF250 MRSDDSRELI260 AAASRANASF270 TWVASDGWGA280 QESIIKGSEH 290 VAYGAITLEL300 ASQPVRQFDR310 YFQSLNPYNN320 HRNPWFRDFW330 EQKFQCSLQN 343 HRRVCDKHLA353 IDSSNYEQES363 KIMFVVNAVY373 AMAHALHKMQ383 RTLCPNTTKL 393 CDAMKILDGK403 KLYKDYLLKI413 NFTAPFNDSI428 VKFDTFGDGM438 GRYNVFNFQN 448 VGGKYSYLKV458 GHWAETLSLD468 VNSIHWS
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Ligand Info | |||||
| Structure Description | Structure of mGluR3 with an agonist | PDB:6B7H | ||||
| Method | X-ray diffraction | Resolution | 2.82 Å | Mutation | No | [3] |
| PDB Sequence |
RREIKIGDLV
40 LGGLFPINEK50 EECGRINEDR64 GIQRLEAMLF74 AIDEINKDDY84 LLPGVKLGVH 94 ILDTCSRDTY104 ALEQSLEFVR114 ASLPLLIAGV145 IGGSYSSVSI155 QVANLLRLFQ 165 IPQISYASTS175 AKLSDKSRYD185 YFARTVPPDF195 YQAKAMAEIL205 RFFNWTYVST 215 VASEGDYGET225 GIEAFEQEAR235 LRNISIATAE245 KVGRSNIRKS255 YDSVIRELLQ 265 KPNARVVVLF275 MRSDDSRELI285 AAASRANASF295 TWVASDGWGA305 QESIIKGSEH 315 VAYGAITLEL325 ASQPVRQFDR335 YFQSLNPYNN345 HRNPWFRDFW355 EQKFQCSLRV 372 CDKHLAIDSS382 NYEQESKIMF392 VVNAVYAMAH402 ALHKMQRTLC412 PNTTKLCDAM 422 KILDGKKLYK432 DYLLKINFTA442 PDADSIVKFD457 TFGDGMGRYN467 VFNFQNVGGK 477 YSYLKVGHWA487 ETLSLDVNSI497 HWSRNSVPTS507 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CWY or .CWY2 or .CWY3 or :3CWY;style chemicals stick;color identity;select .A:49 or .A:64 or .A:68 or .A:100 or .A:149 or .A:150 or .A:151 or .A:152 or .A:172 or .A:173 or .A:174 or .A:175 or .A:222 or .A:277 or .A:278 or .A:279 or .A:301 or .A:302 or .A:324 or .A:387 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU49
4.252
ARG64
3.158
ARG68
2.830
SER100
3.739
SER149
2.639
TYR150
3.174
SER151
2.572
SER152
4.251
ALA172
2.711
SER173
3.155
THR174
2.887
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1r,2s,4r,5r,6r)-2-Amino-4-(1h-1,2,4-Triazol-3-Ylsulfanyl)bicyclo[3.1.0]hexane-2,6-Dicarboxylic Acid | Ligand Info | |||||
| Structure Description | mGluR3 complexed with glutamate analog | PDB:5CNM | ||||
| Method | X-ray diffraction | Resolution | 2.84 Å | Mutation | No | [4] |
| PDB Sequence |
RREIKIEGDL
39 VLGGLFPINE49 KGTGTEECGR59 INEDRGIQRL69 EAMLFAIDEI79 NKDDYLLPGV 89 KLGVHILDTC99 SRDTYALEQS109 LEFVRASLIP139 LLIAGVIGGS149 YSSVSIQVAN 159 LLRLFQIPQI169 SYASTSAKLS179 DKSRYDYFAR189 TVPPDFYQAK199 AMAEILRFFN 209 WTYVSTVASE219 GDYGETGIEA229 FEQEARLRNI239 SIATAEKVGI252 RKSYDSVIRE 262 LLQKPNARVV272 VLFMRSDDSR282 ELIAAASRAN292 ASFTWVASDG302 WGAQESIIKG 312 SEHVAYGAIT322 LELASQPVRQ332 FDRYFQSLNP342 YNNHRNPWFR352 DFWEQKFQCS 362 LQNHRRVCDK375 HLAIDSSNYE385 QESKIMFVVN395 AVYAMAHALH405 KMQRTLCPNT 415 TKLCDAMKIL425 DGKKLYKDYL435 LKINFTAPFN445 PNKDADSIVK455 FDTFGDGMGR 465 YNVFNFQSYL481 KVGHWAETLS491 LDVN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .52Q or .52Q2 or .52Q3 or :352Q;style chemicals stick;color identity;select .A:64 or .A:68 or .A:149 or .A:150 or .A:151 or .A:172 or .A:173 or .A:174 or .A:175 or .A:194 or .A:277 or .A:387 or .A:389; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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. | ||||
| REF 2 | Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist | ||||
| REF 3 | Synthesis and Pharmacological Characterization of C4(beta)-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu(3) Receptor Agonist. J Med Chem. 2018 Mar 22;61(6):2303-2328. | ||||
| REF 4 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J Med Chem. 2015 Sep 24;58(18):7526-48. | ||||
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