Structure of PDB 5mzq Chain D Binding Site BS01

Receptor Information
>5mzq Chain D (length=311) Species: 251221 (Gloeobacter violaceus PCC 7421) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSPPPPIADEPLTVNTGIYLIECYSLDDKAETFKVNAFLSLSWKDRRLAF
DPVRSGVRVKTYEPEAIWIPEIRFVNVENARDADVVDISVSPDGTVQYLE
RFSARVLSPLDFRRYPFDSQTLHIYLIVRSVDTRNIVLAVDLEKVGKNDD
VFLTGWDIESFTAVVKPANFALEDRLESKLDYQLRISRQYFSYIPNIILP
WLFILFISWTAFWSTSYEANVTLVVSTLIAHIAFNILVETNLPKTPYMTY
TGAIIFMIYLFYFVAVIEVTVQHYLKVESQPARAASITRASRIAFPVVFL
LANIILAFLFF
Ligand information
Ligand ID2IL
InChIInChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(23-25(27)28)30-26(29)22-20-18-16-14-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H,27,28)/t24-/m1/s1
InChIKeyIKRFTYQBIVDIMM-XMMPIXPASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCC[C@H](CC(O)=O)OC(=O)CCCCCCCCCCC
ACDLabs 12.01O=C(O)CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC
FormulaC26 H50 O4
Name(3R)-3-(dodecanoyloxy)tetradecanoic acid
ChEMBL
DrugBank
ZINC
PDB chain5mzq Chain C Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mzq Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F267 Y278
Binding residue
(residue number reindexed from 1)		F263 Y274
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
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5mzq, PDBe:5mzq, PDBj:5mzq
PDBsum5mzq
PubMed29694907
UniProtQ7NDN8|GLIC_GLOVI Proton-gated ion channel (Gene Name=glvI)

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