Structure of PDB 7exd Chain R Binding Site BS01

Receptor Information
>7exd Chain R (length=272) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMPSKILVSLTLSGLALMTTTINSLVIAAIIVTRKLHHPANYLICSLAVT
DFLVAVLVMPFSIVYIVRESWIMGQVVCDIWLSVDITCCTCSILHLSAIA
LDRYRAITDAVEYARKRTPKHAGIMITIVWIISVFISMPPLFWRHQGTSR
DDECIIKHDHIVSTIYSTFGAFYIPLALILILYYKIYRAAKTLYHGTRER
KAATTLGLILGAFVICWLPFFVKELVVNVCDKCKISEEMSNFLAWLGYLN
SLINPLIYTIFNEDFKKAFQKL
Ligand information
Ligand ID05X
InChIInChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)
InChIKeyXEDHVZKDSYZQBF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F
CACTVS 3.385CN1CCC(CC1)C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2
FormulaC19 H18 F3 N3 O2
Name2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide
ChEMBLCHEMBL3039520
DrugBankDB11732
ZINCZINC000003818355
PDB chain7exd Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7exd Structural basis for recognition of anti-migraine drug lasmiditan by the serotonin receptor 5-HT 1F -G protein complex.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		D103 I104 C107 T108 I174 H176 T182 W306 F309 E313 Y337
Binding residue
(residue number reindexed from 1)		D85 I86 C89 T90 I156 H158 T164 W217 F220 E224 Y248
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001586 Gi/o-coupled serotonin receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0004993 G protein-coupled serotonin receptor activity
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0030594 neurotransmitter receptor activity
GO:0046872 metal ion binding
GO:0051378 serotonin binding
GO:0099589 serotonin receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007193 adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
GO:0007198 adenylate cyclase-inhibiting serotonin receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0022900 electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0042597 periplasmic space
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7exd, PDBe:7exd, PDBj:7exd
PDBsum7exd
PubMed34239069
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
P30939

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