Structure of PDB 4u1z Chain A Binding Site BS01

Receptor Information
>4u1z Chain A (length=262) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKY
KLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVID
FSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSK
IAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIE
QRKPCDTMKVGGNLDSKGYGIATPKGSSLGTPVNLAVLKLSEQGVLDKLK
NKWWYDKGECGS
Ligand information
Ligand IDFWF
InChIInChI=1S/C24H36N2O4S2/c1-17(2)31(27,28)25-15-19(5)21-7-11-23(12-8-21)24-13-9-22(10-14-24)20(6)16-26-32(29,30)18(3)4/h7-14,17-20,25-26H,15-16H2,1-6H3/t19-,20-/m0/s1
InChIKeyHGLQSTHVRKGLQP-PMACEKPBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C(C)CNS(=O)(=O)C(C)C
CACTVS 3.385CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)[CH](C)CN[S](=O)(=O)C(C)C
ACDLabs 12.01O=S(=O)(NCC(c2ccc(c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C)cc2)C)C(C)C
OpenEye OEToolkits 1.9.2C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C
CACTVS 3.385CC(C)[S](=O)(=O)NC[C@H](C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CN[S](=O)(=O)C(C)C
FormulaC24 H36 N2 O4 S2
NameN,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
ChEMBL
DrugBank
ZINCZINC000098208908
PDB chain4u1z Chain A Residue 302 [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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PDB4u1z Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Resolution1.9401 Å
Binding residue
(original residue number in PDB)		K104 P105 S108 S217 K218 L239
Binding residue
(residue number reindexed from 1)		K103 P104 S107 S216 K217 L238
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:4u1z, PDBe:4u1z, PDBj:4u1z
PDBsum4u1z
PubMed25109876
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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