Structure of PDB 5l1h Chain D Binding Site BS01

Receptor Information
>5l1h Chain D (length=776) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSIQIGGLFPRGADQEYSAFRVGMVQFSTSEFRLTPHIDNLEVANSFAVT
NAFCSQFSRGVYAIFGFYDKKSVNTITSFCGTLHVSFITPSFPTDGTHPF
VIQMRPDLKGALLSLIEYYQWDKFAYLYDSDRGLSTLQAVLDSAAEKKWQ
VTAINVGNINNDKKDETYRSLFQDLELKKERRVILDCERDKVNDIVDQVI
TIGKHVKGYHYIIANLGFTDGDLLKIQFGGAEVSGFQIVDYDDSLVSKFI
ERWSTLEEKEYPGAHTATIKYTSALTYDAVQVMTEAFRNLRKQRIEISRR
GNAGDCLANPAVPWGQGVEIERALKQVQVEGLSGNIKFDQNGKRINYTIN
IMELKTNGPRKIGYWSEVDKMVLTEDDTSGLEQKTVVVTTILESPYVMMK
KNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKYGARDADTKI
WNGMVGELVYGKADIAIAPLTITLVREEVIDFSKPFMSLGISIMIKKPQK
SKPGVFSFLDPLAYEIWMCIVFAYIGVSVVLFLVSIFNSLWFSLGAFMQQ
GSPRSLSGRIVGGVWWFFTLIIISSYTANLAAFLTVERMVSPIESAEDLS
KQTEIAYGTLDSGSTKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGV
ARVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGS
SLGTPVNLAVLKLSEQGVLDKLKNKWWYDKGECGAKDSGSKEKTSALSLS
NVAGVFYILVGGLGLAMLVALIEFCY
Ligand information
Ligand IDGYK
InChIInChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeySMGACXZFVXKEAX-LLVKDONJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3
CACTVS 3.385CNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C[C@H]1C
ACDLabs 12.01CC2Cc1cc4c(cc1C(=NN2C(=O)NC)c3ccc(cc3)N)OCO4
OpenEye OEToolkits 2.0.6C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3
CACTVS 3.385CNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C[CH]1C
FormulaC19 H20 N4 O3
Name(8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
ChEMBLCHEMBL411664
DrugBank
ZINCZINC000000598361
PDB chain5l1h Chain D Residue 902 [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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PDB5l1h Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Resolution3.801 Å
Binding residue
(original residue number in PDB)		S516 D519 P520 F623 M629 S788 N791
Binding residue
(residue number reindexed from 1)		S507 D510 P511 F583 M589 S748 N751
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006811 monoatomic ion transport
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:5l1h, PDBe:5l1h, PDBj:5l1h
PDBsum5l1h
PubMed27618672
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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