Structure of PDB 4z91 Chain E Binding Site BS01

Receptor Information
>4z91 Chain E (length=309) Species: 198628 (Dickeya dadantii 3937) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVE
NTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGS
FSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDE
WWIRGKASTHISDIRYDHLSSVQPNQNEFSRITVRIDAVRNPSYYLWSFI
LPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYT
TVIDQMIIAGYGSIFAAILLIIFAHHRQANGVEDDLLIQRCRLAFPLGFL
AIGCVLVIR
Ligand information
Ligand ID4LJ
InChIInChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2
InChIKeyZTGQZSKPSJUEBU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CN)CBr
CACTVS 3.385NCCCBr
FormulaC3 H8 Br N
Name1.7.6 3-bromanylpropan-1-amine
ChEMBL
DrugBank
ZINCZINC000001719021
PDB chain4z91 Chain E Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4z91 Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Resolution3.3915 Å
Binding residue
(original residue number in PDB)		F78 P85
Binding residue
(residue number reindexed from 1)		F69 P76
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:0042802 identical protein binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0007165 signal transduction
GO:0034220 monoatomic ion transmembrane transport
GO:0042391 regulation of membrane potential
Cellular Component
GO:0016020 membrane
GO:0043005 neuron projection

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4z91, PDBe:4z91, PDBj:4z91
PDBsum4z91
PubMed26346220
UniProtE0SJQ4

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