Structure of PDB 2ipn Chain A Binding Site BS02

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2ipn Chain A Residue 702 [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)		D134 N136 D138 Q140 Q142 E205
Binding residue
(residue number reindexed from 1)		D133 N135 D137 Q139 Q141 E204
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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