Structure of PDB 3p4w Chain B Binding Site BS01

Receptor Information
>3p4w Chain B (length=311) Species: 33072 (Gloeobacter violaceus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSPPPPIADEPLTVNTGIYLIECYSLDDKAETFKVNAFLSLSWKDRRLAF
DPVRSGVRVKTYEPEAIWIPEIRFVNVENARDADVVDISVSPDGTVQYLE
RFSARVLSPLDFRRYPFDSQTLHIYLIVRSVDTRNIVLAVDLEKVGKNDD
VFLTGWDIESFTAVVKPANFALEDRLESKLDYQLRISRQYFSYIPNIILP
MLFILFISWTAFWSTSYEANVTLVVSTLIAHIAFNILVETNLPKTPYMTY
TGAIIFMIYLFYFVAVIEVTVQHYLKVESQPARAASITRASRIAFPVVFL
LANIILAFLFF
Ligand information
Ligand IDDSF
InChIInChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1
InChIKeyDPYMFVXJLLWWEU-PVQJCKRUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(F)(F)F)(OC(F)F)F
ether
CACTVS 3.370FC(F)O[CH](F)C(F)(F)F
OpenEye OEToolkits 1.7.0[C@H](C(F)(F)F)(OC(F)F)F
CACTVS 3.370FC(F)O[C@@H](F)C(F)(F)F
FormulaC3 H2 F6 O
Name(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;
DESFLURANE
ChEMBL
DrugBank
ZINCZINC000003776875
PDB chain3p4w Chain B Residue 319 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p4w X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Resolution3.2 Å
Binding residue
(original residue number in PDB)		P120 I201 T255 I258
Binding residue
(residue number reindexed from 1)		P116 I197 T251 I254
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.57,IC50=27uM
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:0005267 potassium channel activity
GO:0005272 sodium channel activity
GO:0042802 identical protein binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0034220 monoatomic ion transmembrane transport
GO:0035725 sodium ion transmembrane transport
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:1902495 transmembrane transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3p4w, PDBe:3p4w, PDBj:3p4w
PDBsum3p4w
PubMed21248852
UniProtQ7NDN8|GLIC_GLOVI Proton-gated ion channel (Gene Name=glvI)

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