Structure of PDB 3p50 Chain B Binding Site BS01

Receptor Information
>3p50 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 IDPFL
InChIInChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKeyOLBCVFGFOZPWHH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Oc1c(cccc1C(C)C)C(C)C
OpenEye OEToolkits 1.5.0CC(C)c1cccc(c1O)C(C)C
CACTVS 3.341CC(C)c1cccc(C(C)C)c1O
FormulaC12 H18 O
Name2,6-BIS(1-METHYLETHYL)PHENOL;
2,6-DIISOPROPYLPHENOL;
PROPOFOL
ChEMBLCHEMBL526
DrugBankDB00818
ZINCZINC000000968303
PDB chain3p50 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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PDB3p50 X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Resolution3.3 Å
Binding residue
(original residue number in PDB)		I202 L206 Y254 T255 I258
Binding residue
(residue number reindexed from 1)		I198 L202 Y250 T251 I254
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: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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Biological Process
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Cellular Component
External links
PDB RCSB:3p50, PDBe:3p50, PDBj:3p50
PDBsum3p50
PubMed21248852
UniProtQ7NDN8|GLIC_GLOVI Proton-gated ion channel (Gene Name=glvI)

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