Structure of PDB 7l31 Chain A Binding Site BS01

Receptor Information
>7l31 Chain A (length=339) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSPSDFLDKLMGRTSGYDARIRPNFKGPPVNVTCNIFINSFGSVTETTMD
YRVNIFLRQQWNDSRLAYSEYPDDSLDLDPSMLDSIWKPDLFFANEKGAN
FHDVTTDNKLLRISKNGKVLYSIRLTLTLSCPMDLKNFPMDVQTCTMQLE
SFGYTMNDLIFEWLSDGPVQVAEGLTLPQFILKEEKELGYCTKHYNTGKF
TCIEVKFHLERQMGYYLIQMYIPSLLIVILSWVSFWINMDAAPARVALGI
TTVLTMTTQSSGSRASLPKVSYVKAIDIWMAVCLLFVFAALLEYAAVNFV
SRKFVDRAKRIDTISRAAFPLAFLIFNIFYWITYKIIRH
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 chain7l31 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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PDB7l31 Characterization of the subunit composition and structure of adult human glycine receptors
Resolution3.8 Å
Binding residue
(original residue number in PDB)		F70 R72 L124 R126 L134
Binding residue
(residue number reindexed from 1)		F56 R58 L110 R112 L120
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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Biological Process
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Cellular Component
External links
PDB RCSB:7l31, PDBe:7l31, PDBj:7l31
PDBsum7l31
PubMed
UniProtP23416|GLRA2_HUMAN Glycine receptor subunit alpha-2 (Gene Name=GLRA2)

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