Structure of PDB 6bt5 Chain B Binding Site BS01

Receptor Information
>6bt5 Chain B (length=433) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHSIRVDGDIILGGLFPVHAKGERGVPCGELKKEKGIHRLEAMLYAIDQI
NKDPDLLSNITLGVRILDTCSRDTYALEQSLTFVQKISGVIGAAASSVSI
MVANILRLFKIPQISYASTAPELSDNTRYDFFSRVVPPDSYQAQAMVDIV
TALGWNYVSTLASEGNYGESGVEAFTQISREIGGVSIAQSQKIPREPRPG
EFEKIIKRLLETPNARAVIMFANEDDIRRILEAAKKLNQSGHFLWIGSDS
WGSKIAPVYQQEEIAEGAVTILPKRASIDGFDRYFRSRTLANNRRNVWFA
EFWEENFGCKLKCTGLERIARDSSYEQEGKVQFVIDAVYSMAYALHNMHK
DLCPGYIGLCPRMSTIDGKELLGYIRAVNFNGSAGTPVTFNENGDAPGRY
DIFQYQITNKSTEYKVIGHWTNQLHLKVEDMQW
Ligand information
Ligand IDE7P
InChIInChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
InChIKeyDDOQBQRIEWHWBT-VKHMYHEASA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[C@@H](CC[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6C(CP(=O)(O)O)C(C(=O)O)N
CACTVS 3.385N[CH](CC[P](O)(O)=O)C(O)=O
ACDLabs 12.01OP(=O)(CCC(C(O)=O)N)O
OpenEye OEToolkits 2.0.6C(CP(=O)(O)O)[C@@H](C(=O)O)N
FormulaC4 H10 N O5 P
Name(2S)-2-amino-4-phosphonobutanoic acid
ChEMBLCHEMBL33567
DrugBank
ZINCZINC000002033983
PDB chain6bt5 Chain B Residue 601 [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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PDB6bt5 Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity.
Resolution2.92 Å
Binding residue
(original residue number in PDB)		K71 R75 A154 S156 A177 T179 Y227 D309 K314 K401
Binding residue
(residue number reindexed from 1)		K35 R39 A94 S96 A117 T119 Y167 D249 K254 K330
Annotation score1
Binding affinityBindingDB: EC50=290nM,IC50=5.1nM,Ki=400nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bt5, PDBe:6bt5, PDBj:6bt5
PDBsum6bt5
PubMed29402739
UniProtO00222|GRM8_HUMAN Metabotropic glutamate receptor 8 (Gene Name=GRM8)

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