Structure of PDB 4kjq Chain B Binding Site BS01

Receptor Information
>4kjq Chain B (length=441) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRQLIRQLLERDKTPLAILFMAAVVGTLVGLAAVAFDKGVAWLQNQRMGA
LVHTADNYPLLLTVAFLCSAVLAMFGYFLVRKYAPEAGGSGIPEIEGALE
DQRPVRWWRVLPVKFFGGLGTLGGGMVLGREGPTVQIGGNIGRMVLDIFR
LKGDEARHTLLATGAAAGLAAAFNAPLAGILFIIEEMRPQFRYTLISIKA
VFIGVIMSTIMYRIFNHEVALIDVGKLSDAPLNTLWLYLILGIIFGIFGP
IFNKWVLGMQDLLHRVHGGNITKWVLMGGAIGGLCGLLGFVAPATSGGGF
NLIPIATAGNFSMGMLVFIFVARVITTLLCFSSGAPGGIFAPMLALGTVL
GTAFGMVAVELFPQYHLEAGTFAIAGMGALLAASIRAPLTGIILVLEMTD
NYQLILPMIITGLGATLLAQFTGGKPLYSAILARTLAKQEA
Ligand information
Ligand IDF
InChIInChI=1S/FH/h1H/p-1
InChIKeyKRHYYFGTRYWZRS-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[F-]
FormulaF
NameFLUORIDE ION
ChEMBL
DrugBankDB11257
ZINC
PDB chain4kjq Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kjq Fluoride-dependent interruption of the transport cycle of a CLC Cl(-)/H(+) antiporter.
Resolution2.875 Å
Binding residue
(original residue number in PDB)		S107 I356 Y445
Binding residue
(residue number reindexed from 1)		S90 I339 Y428
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005247 voltage-gated chloride channel activity
GO:0015297 antiporter activity
GO:0042802 identical protein binding
GO:0062158 chloride:proton antiporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006821 chloride transport
GO:0055085 transmembrane transport
GO:1902476 chloride transmembrane transport
GO:1902600 proton transmembrane transport
GO:1990451 cellular stress response to acidic pH
Cellular Component
GO:0005886 plasma membrane
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:4kjq, PDBe:4kjq, PDBj:4kjq
PDBsum4kjq
PubMed24036509
UniProtP37019|CLCA_ECOLI H(+)/Cl(-) exchange transporter ClcA (Gene Name=clcA)

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