Structure of PDB 8jcw Chain 2 Binding Site BS02

Receptor Information
>8jcw Chain 2 (length=762) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVLTLEGDLVLGGLFPVHQKGGPAEDCGPVNEHRGIQRLEAMLFALDRIN
RDPHLLPGVRLGAHILDSCSKDTHALEQALDFVRASLSRDAPTAITGVIG
GSYSDVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFFQ
AKAMAEILRFFNWTYVSTVASEGDYGETGIEAFELEARARNICVATSEKV
GRAMSRAAFEGVVRALLQKPSARVAVLFTRSEDARELLAASQRLNASFTW
VASDGWGALESVVAGSEGAAEGAITIELASYPISDFASYFQSLDPWNNSR
NPWFREFWEQRFRCSFRQRDCAAHSLRAVPFEQESKIMFVVNAVYAMAHA
LHNMHRALCPNTTRLCDAMRPVNGRRLYKDFVLNVKFDAPFRPADTHNEV
RFDRFGDGIGRYNIFTYLRAGSGRYRYQKVGYWAEGLTLDTSLIPWASPS
AGPLPASRCSEPCLQNEVKSVQPGEVCCWLCIPCQPYEYRLDEFTCADCG
LGYWPNASLTGCFELPQEYIRWGDAWAVGPVTIACLGALATLFVLGVFVR
HNATPVVKASGRELCYILLGGVFLCYCMTFIFIAKPSTAVCTLRRLGLGT
AFSVCYSALLTKTNRIARSPASQVAICLALISGQLLIVVAWLVVEAPGTG
KETAPERREVVTLRCNHRDASMLGSLAYNVLLIALCTLYAFKTRKCPENF
NEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCVSVSLSGSVVL
GCLFAPKLHIIL
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8jcw Chain 2 Residue 1103 [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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PDB8jcw Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		V695 P703
Binding residue
(residue number reindexed from 1)		V639 P647
Annotation score1
Enzymatic activity
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0001641 group II metabotropic glutamate receptor activity
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
GO:0004930 G protein-coupled receptor activity
GO:0005160 transforming growth factor beta receptor binding
GO:0005246 calcium channel regulator activity
GO:0005515 protein binding
GO:0005527 macrolide binding
GO:0005528 FK506 binding
GO:0008066 glutamate receptor activity
GO:0016247 channel regulator activity
GO:0030547 signaling receptor inhibitor activity
GO:0034713 type I transforming growth factor beta receptor binding
GO:0044325 transmembrane transporter binding
GO:0070411 I-SMAD binding
GO:0070697 activin receptor binding
GO:0097110 scaffold protein binding
Biological Process
GO:0000413 protein peptidyl-prolyl isomerization
GO:0003007 heart morphogenesis
GO:0006457 protein folding
GO:0006458 'de novo' protein folding
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007194 negative regulation of adenylate cyclase activity
GO:0007196 adenylate cyclase-inhibiting G protein-coupled glutamate receptor signaling pathway
GO:0007215 glutamate receptor signaling pathway
GO:0007216 G protein-coupled glutamate receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0010467 gene expression
GO:0014047 glutamate secretion
GO:0014048 regulation of glutamate secretion
GO:0014059 regulation of dopamine secretion
GO:0014809 regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion
GO:0022417 protein maturation by protein folding
GO:0030512 negative regulation of transforming growth factor beta receptor signaling pathway
GO:0032092 positive regulation of protein binding
GO:0032880 regulation of protein localization
GO:0032926 negative regulation of activin receptor signaling pathway
GO:0033554 cellular response to stress
GO:0035095 behavioral response to nicotine
GO:0042026 protein refolding
GO:0042110 T cell activation
GO:0042220 response to cocaine
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0050776 regulation of immune response
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0051966 regulation of synaptic transmission, glutamatergic
GO:0055010 ventricular cardiac muscle tissue morphogenesis
GO:0060292 long-term synaptic depression
GO:0060314 regulation of ryanodine-sensitive calcium-release channel activity
GO:0060347 heart trabecula formation
GO:0070588 calcium ion transmembrane transport
GO:0090461 intracellular glutamate homeostasis
GO:0097435 supramolecular fiber organization
GO:0099171 presynaptic modulation of chemical synaptic transmission
GO:1902991 regulation of amyloid precursor protein catabolic process
GO:1990000 amyloid fibril formation
GO:2001023 regulation of response to drug
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0014802 terminal cisterna
GO:0016020 membrane
GO:0016529 sarcoplasmic reticulum
GO:0030018 Z disc
GO:0030424 axon
GO:0030425 dendrite
GO:0033017 sarcoplasmic reticulum membrane
GO:0042734 presynaptic membrane
GO:0042995 cell projection
GO:0043005 neuron projection
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:0097449 astrocyte projection
GO:0098562 cytoplasmic side of membrane
GO:0098978 glutamatergic synapse
GO:1990425 ryanodine receptor complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jcw, PDBe:8jcw, PDBj:8jcw
PDBsum8jcw
PubMed37286794
UniProtP62942|FKB1A_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP1A (Gene Name=FKBP1A);
Q14416|GRM2_HUMAN Metabotropic glutamate receptor 2 (Gene Name=GRM2)

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