Structure of PDB 5l4h Chain D Binding Site BS01

Receptor Information
>5l4h 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]
VSPPPPIADEPLTVNTGIYLIESYSLDDCAETFKVNAFLSLSWKDRRLAF
DPVRSGVRVKTYEPEAIWIPEIRFVNVENARDADVVDISVSPDGTVQYLE
RFSARVLSPLDFRRYPFDSQTLHIYLIVRSVDTRNIVLAVDLEKVGKNDD
VFLTGWDIESFTAVVKPANFALEDRLESKLDYQLRISRQYFSYIPNIILP
MLFILFISWTAFWSTSYEANVTLVVSTLIAHIAFNILVETNCPKTPYMTY
TGAIIFMIYLFYFVAVIEVTVQHYLKVESQPARAASITRASRIAFPVVFL
LANIILAFLFF
Ligand information
Ligand ID6JW
InChIInChI=1S/C8H11BrN2O3/c1-2-8(3-4-9)5(12)10-7(14)11-6(8)13/h2-4H2,1H3,(H2,10,11,12,13,14)
InChIKeyLJVTYPFTOBMROG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC1(CCBr)C(=O)NC(=O)NC1=O
OpenEye OEToolkits 2.0.5CCC1(C(=O)NC(=O)NC1=O)CCBr
FormulaC8 H11 Br N2 O3
Name5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
ChEMBL
DrugBank
ZINCZINC000001678949
PDB chain5l4h Chain E Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5l4h Barbiturates Bind in the GLIC Ion Channel Pore and Cause Inhibition by Stabilizing a Closed State.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		S230 I233
Binding residue
(residue number reindexed from 1)		S226 I229
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.75,IC50=177uM
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:5l4h, PDBe:5l4h, PDBj:5l4h
PDBsum5l4h
PubMed27986812
UniProtQ7NDN8|GLIC_GLOVI Proton-gated ion channel (Gene Name=glvI)

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