Structure of PDB 3jad Chain E Binding Site BS01

Receptor Information
>3jad Chain E (length=337) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APSEFLDKLMGKVSGYDARIRPNFKGPPVNVTCNIFINSFGSIAETTMDY
RVNIFLRQQWNDPRLAYSEYPDDSLDLDPSMLDSIWKPDLFFANEKGANF
HEVTTDNKLLRISKNGNVLYSIRITLVLACPMDLKNFPMDVQTCIMQLES
FGYTMNDLIFEWDEKGAVQVADGLTLPQFILKEEKDLRYCTKHYNTGKFT
CIEARFHLERQMGYYLIQMYIPSLLIVILSWVSFWINMDAAPARVGLGIT
TVLTMTTQSSGSRASLPKVSYVKAIDIWMAVCLLFVFSALLEYAAVNFIA
RKLFISRAKRIDTVSRVAFPLVFLIFNIFYWITYKLV
Ligand information
Ligand IDSY9
InChIInChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChIKeyQMGVPVSNSZLJIA-FVWCLLPLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc2c(c1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5
OpenEye OEToolkits 1.6.1c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5
CACTVS 3.352O=C1C[C@@H]2OCC=C3C[N@]4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67
CACTVS 3.352O=C1C[CH]2OCC=C3C[N]4CC[C]56[CH]4C[CH]3[CH]2[CH]5N1c7ccccc67
FormulaC21 H22 N2 O2
NameSTRYCHNINE
ChEMBLCHEMBL227934
DrugBankDB15954
ZINCZINC000000119434
PDB chain3jad Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3jad Glycine receptor mechanism elucidated by electron cryo-microscopy.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		F175 G176 Y218 T220 F223
Binding residue
(residue number reindexed from 1)		F151 G152 Y194 T196 F199
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
GO:0016594 glycine binding
GO:0022824 transmitter-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
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:3jad, PDBe:3jad, PDBj:3jad
PDBsum3jad
PubMed26344198
UniProtO93430|GLRA1_DANRE Glycine receptor subunit alphaZ1 (Gene Name=glra1)

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