Structure of PDB 3ga5 Chain B Binding Site BS01

Receptor Information
>3ga5 Chain B (length=305) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRIGVTIYKYDDNFMSVVRKAIEKDGKSAPDVQLLMNDSQNDQSKQNDQI
DVLLAKGVKALAINLVDPAAAGTVIEKARGQNVPVVFFNKEPSRKALDSY
DKAYYVGTDSKESGVIQGDLIAKHWQANQGWDLNKDGKIQYVLLKGEPGH
PDAEARTTYVVKELNDKGIQTEQLALDTAMWDTAQAKDKMDAWLSGPNAN
KIEVVIANNDAMAMGAVEALKAHNKSSIPVFGVDALPEALALVKSGAMAG
TVLNDANNQAKATFDLAKNLAEGKGAADGTSWKIENKIVRVPYVGVDKDN
LSEFT
Ligand information
Ligand IDRGG
InChIInChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
InChIKeyNHJUPBDCSOGIKX-NTXXKDEISA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O
ACDLabs 10.04O(CC(O)CO)C1OC(C(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)O
CACTVS 3.341OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
FormulaC9 H18 O8
Name(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside;
(2R)-glyceryl-beta-D-galactopyranoside;
(2R)-2,3-dihydroxypropyl beta-D-galactoside;
(2R)-2,3-dihydroxypropyl D-galactoside;
(2R)-2,3-dihydroxypropyl galactoside
ChEMBLCHEMBL446492
DrugBank
ZINCZINC000004096297
PDB chain3ga5 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ga5 X-ray structure of glucose/galactose receptor from Salmonella typhimurium in complex with the physiological ligand, (2R)-glyceryl-beta-D-galactopyranoside
Resolution1.87 Å
Binding residue
(original residue number in PDB)		D14 F16 N91 K92 T110 H152 D154 R158 W183 N211 D236 N256 Q261
Binding residue
(residue number reindexed from 1)		D12 F14 N89 K90 T108 H150 D152 R156 W181 N209 D234 N254 Q259
Annotation score1
Binding affinityMOAD: Kd=3.2uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0006935 chemotaxis
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ga5, PDBe:3ga5, PDBj:3ga5
PDBsum3ga5
PubMed19292879
UniProtP23905|MGLB_SALTY D-galactose/methyl-galactoside binding periplasmic protein MglB (Gene Name=mglB)

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