Structure of PDB 4twf Chain C Binding Site BS02

Receptor Information
>4twf Chain C (length=307) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVEN
TQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSF
SNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENADNEEIDEW
WIRGKASTHISDIRYDHLSSVQPNQNEFSRITVRIDAVRNPSYYLWSFIL
PLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYASYTSNILPRLPYTT
VIDQMIIAGYGSIFAAILLIIFAHHRQANGVEDDLLIQRCRLAFPLGFLA
IGCVLVI
Ligand information
Ligand IDBR7
InChIInChI=1S/C12H20BrN/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h3-8,14H2,1-2H3/t9-,10+,11+,12-
InChIKeyUKCUZUGMIJFTKF-IWDIQUIJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C]12C[C]3(C)CC(N)(C1)CC(Br)(C2)C3
ACDLabs 12.01BrC13CC2(CC(N)(CC(C1)(C)C2)C3)C
CACTVS 3.385C[C@@]12C[C@@]3(C)CC(N)(C1)CC(Br)(C2)C3
OpenEye OEToolkits 1.9.2C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C
OpenEye OEToolkits 1.9.2CC12CC3(CC(C1)(CC(C2)(C3)Br)N)C
FormulaC12 H20 Br N
NameBromomemantine
ChEMBL
DrugBank
ZINC
PDB chain4twf Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4twf The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine.
Resolution3.901 Å
Binding residue
(original residue number in PDB)		E131 Y175 F188
Binding residue
(residue number reindexed from 1)		E121 Y165 F178
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
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane 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:4twf, PDBe:4twf, PDBj:4twf
PDBsum4twf
PubMed25199693
UniProtP0C7B7|ELIC_DICCH Cys-loop ligand-gated ion channel

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