Structure of PDB 4z91 Chain A Binding Site BS01

Receptor Information
>4z91 Chain A (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 ID4LE
InChIInChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m0/s1
InChIKeyPIWKPBJCKXDKJR-SFOWXEAESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C(F)(F)F)(OC(F)F)Cl
OpenEye OEToolkits 1.9.2[C@@H](C(F)(F)F)(OC(F)F)Cl
CACTVS 3.385FC(F)O[C@H](Cl)C(F)(F)F
ether
CACTVS 3.385FC(F)O[CH](Cl)C(F)(F)F
FormulaC3 H2 Cl F5 O
Name(2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
ChEMBL
DrugBank
ZINCZINC000003872952
PDB chain4z91 Chain A Residue 401 [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)		L240 A244
Binding residue
(residue number reindexed from 1)		L231 A235
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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