Structure of PDB 4jre Chain A Binding Site BS02

Receptor Information
>4jre Chain A (length=409) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVITDWRPEDPAFWQQRGQRIASRNLWISVPCLLLAFCVWMLFSAVAVNL
PKVGFNFTTDQLFMLTALPSVSGALLRVPYSFMVPIFGGRRWTAFSTGIL
IIPCVWLGFAVQDTSTPYSVFIIISLLCGFAGANFASSMANISFFFPKQK
QGGALGLNGGLGNMGVSVMQLVAPLVVSYLANASWIWVPFLAIFTIAAWF
GMNDLALWIMSLLYLATFGSFIGFSAGFAMLSKTQFPDVQILQYAFFGPF
IGALARSAGGALSDRLGGTRVTLVNFILMAIFSGLLFLTLPTDGQGGSFM
AFFAVFLALFLTAGLGSGSTFQMISVIFRKLTMDRVKAEGGSDERAMREA
ATDTAAALGFISAIGAIGGFFIPKAFGSSLALTGSPVGAMKVFLIFYIAC
VVITWAVYG
Ligand information
Ligand IDGYP
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKeyHOVAGTYPODGVJG-ZFYZTMLRSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
FormulaC7 H14 O6
Namemethyl alpha-D-glucopyranoside;
METHYL-ALPHA-D-GLUCOPYRANOSIDE;
ALPHA-METHYL-D-GLUCOPYRANOSIDE;
methyl alpha-D-glucoside;
methyl D-glucoside;
methyl glucoside
ChEMBLCHEMBL131853
DrugBank
ZINCZINC000003861272
PDB chain4jre Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jre Crystal structure of a nitrate/nitrite exchanger.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F420 I421 V441 F445
Binding residue
(residue number reindexed from 1)		F371 I372 V392 F396
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005452 solute:inorganic anion antiporter activity
GO:0015112 nitrate transmembrane transporter activity
GO:0015113 nitrite transmembrane transporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0015706 nitrate transmembrane transport
GO:0015707 nitrite transport
GO:0042128 nitrate assimilation
GO:0043602 nitrate catabolic process
GO:0055085 transmembrane transport
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:4jre, PDBe:4jre, PDBj:4jre
PDBsum4jre
PubMed23665960
UniProtP10903|NARK_ECOLI Nitrate/nitrite antiporter NarK (Gene Name=narK)

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