Structure of PDB 3p50 Chain A Binding Site BS01

Receptor Information
>3p50 Chain A (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 A 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 N307
Binding residue
(residue number reindexed from 1)
I198 L202 Y250 T251 I254 N303
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.62,IC50=24uM
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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