Structure of PDB 3p50 Chain A Binding Site BS01
Receptor Information
>3p50 Chain A (length=311) Species:
33072
(Gloeobacter violaceus) [
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VSPPPPIADEPLTVNTGIYLIECYSLDDKAETFKVNAFLSLSWKDRRLAF
DPVRSGVRVKTYEPEAIWIPEIRFVNVENARDADVVDISVSPDGTVQYLE
RFSARVLSPLDFRRYPFDSQTLHIYLIVRSVDTRNIVLAVDLEKVGKNDD
VFLTGWDIESFTAVVKPANFALEDRLESKLDYQLRISRQYFSYIPNIILP
MLFILFISWTAFWSTSYEANVTLVVSTLIAHIAFNILVETNLPKTPYMTY
TGAIIFMIYLFYFVAVIEVTVQHYLKVESQPARAASITRASRIAFPVVFL
LANIILAFLFF
Ligand information
Ligand ID
PFL
InChI
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKey
OLBCVFGFOZPWHH-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
Oc1c(cccc1C(C)C)C(C)C
OpenEye OEToolkits 1.5.0
CC(C)c1cccc(c1O)C(C)C
CACTVS 3.341
CC(C)c1cccc(C(C)C)c1O
Formula
C12 H18 O
Name
2,6-BIS(1-METHYLETHYL)PHENOL;
2,6-DIISOPROPYLPHENOL;
PROPOFOL
ChEMBL
CHEMBL526
DrugBank
DB00818
ZINC
ZINC000000968303
PDB chain
3p50 Chain A Residue 319 [
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Receptor-Ligand Complex Structure
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PDB
3p50
X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
Resolution
3.3 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 score
1
Binding affinity
PDBbind-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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:3p50
,
PDBe:3p50
,
PDBj:3p50
PDBsum
3p50
PubMed
21248852
UniProt
Q7NDN8
|GLIC_GLOVI Proton-gated ion channel (Gene Name=glvI)
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