Structure of PDB 8tqb Chain B Binding Site BS01

Receptor Information
>8tqb Chain B (length=744) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RREIKIEGDLVLGGLFPINEKGTGTEECGRINEDRGIQRLEAMLFAIDEI
NKDNYLLPGVKLGVHILDTCSRDTYALEQSLEFVRASLTKLLIAGVIGGS
YSSVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQAK
AMAEILRFFNWTYVSTVASEGDYGETGIEAFEQEARLRNICIATAEKVGR
SNIRKSYDSVIRELLQKPNARVVVLFMRSDDSRELIAAANRVNASFTWVA
SDGWGAQESIVKGSEHVAYGAITLELASHPVRQFDRYFQSLNPYNNHRNP
WFRDFWEQKFQCSLQNKRNHRQVCDKHLAIDSSNYEQESKIMFVVNAVYA
MAHALHKMQRTLCPNTTKLCDAMKILDGKKLYKEYLLKINFTAPFNPNKG
ADSIVKFDTFGDGMGRYNVFNLQQTGGKYSYLKVGHWAETLSLDVDSIHW
SRNSVPTSQCSDPCAPNEMKNMQPGDVCCWICIPCEPYEYLVDEFTCMDC
GPGQWPTADLSGCYNLPEDYIKWEDAWAIGPVTIACLGFLCTCIVITVFI
SGRELCYILLFGVSLSYCMTFFFIAKPSPVICALRRLGLGTSFAICYSAL
LTKTKFISPSSQVFICLGLILVQIVMVILETPGTRRYTLPEKRETVILKC
NVKDSSMLISLTYDVVLVILCTVYAFKTEAKFIGFTMYTTCIIWLAFLPI
FYVTSSDYRVQTTTMCISVSLSGFVVLGCLFAPKVHIVLFQPQK
Ligand information
Ligand IDW92
InChIInChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2?,3-,4+,7+/m1/s1
InChIKeyYASVRZWVUGJELU-BXPDIHNCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[C]1(CO[CH]2[CH]([CH]12)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C1C(C2C(C2O1)C(=O)O)(C(=O)O)N
CACTVS 3.385N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C1[C@]([C@@H]2[C@H]([C@@H]2O1)C(=O)O)(C(=O)O)N
FormulaC7 H9 N O5
Name(1R,4R,5S,6R)-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8tqb Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8tqb Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		R64 R68 S149 Y150 S151 A172 S173 T174 Y222 D301 K389
Binding residue
(residue number reindexed from 1)		R35 R39 S100 Y101 S102 A123 S124 T125 Y173 D252 K340
Annotation score1
External links
PDB RCSB:8tqb, PDBe:8tqb, PDBj:8tqb
PDBsum8tqb
PubMed37645747
UniProtP31422|GRM3_RAT Metabotropic glutamate receptor 3 (Gene Name=Grm3)

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