Structure of PDB 2ipn Chain A Binding Site BS01

Receptor Information
>2ipn Chain A (length=305) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTRIGVTIYKYDDCFMSVVRKAIEQDAKAAPDVQLLMNDSQNDQSKQNDQ
IDVLLAKGVKALAINLVDPAAAGTVIEKARGQNVPVVFFNKEPSRKALDS
YDKAYYVGTDSKESGIIQGDLIAKHWAANQGWDLNKDGQIQFVLLKGEPG
HPDAEARTTYVIKELNDKGIKTEQLQLDTAMWDTAQAKDKMDAWLSGPNA
NKIEVVIANNDCMAMGAVEALKAHNKSSIPVFGVDALPEALALVKSGALA
GTVLNDANNQAKATFDLAKNLADGKGAADGTNWKIDNKVVRVPYVGVDKD
NLAEF
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain2ipn Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ipn The free energy cost of domain reorganization in E. coli glucose binding protein
Resolution1.15 Å
Binding residue
(original residue number in PDB)		D14 N91 K92 H152 D154 R158 W183 N211 D236 N256
Binding residue
(residue number reindexed from 1)		D13 N90 K91 H151 D153 R157 W182 N210 D235 N255
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0006935 chemotaxis
GO:0015757 galactose transmembrane transport
GO:0015765 methylgalactoside transport
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ipn, PDBe:2ipn, PDBj:2ipn
PDBsum2ipn
PubMed
UniProtP0AEE5|MGLB_ECOLI D-galactose/methyl-galactoside binding periplasmic protein MglB (Gene Name=mglB)

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