Structure of PDB 1gca Chain A Binding Site BS01

Receptor Information
>1gca Chain A (length=309) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTRIGVTIYKYDDNFMSVVRKAIEKDGKSAPDVQLLMNDSQNDQSKQND
QIDVLLAKGVKALAINLVDPAAAGTVIEKARGQNVPVVFFNKEPSRKALD
SYDKAYYVGTDSKESGVIQGDLIAKHWQANQGWDLNKDGKIQYVLLKGEP
GHPDAEARTTYVVKELNDKGIQTEQLALDTAMWDTAQAKDKMDAWLSGPN
ANKIEVVIANNDAMAMGAVEALKAHNKSSIPVFGVDALPEALALVKSGAM
AGTVLNDANNQAKATFDLAKNLAEGKGAADGTSWKIENKIVRVPYVGVDK
DNLSEFTQK
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain1gca Chain A Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gca The 1.7 A refined X-ray structure of the periplasmic glucose/galactose receptor from Salmonella typhimurium.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D14 F16 N91 K92 H152 D154 R158 N211 D236 N256
Binding residue
(residue number reindexed from 1)		D14 F16 N91 K92 H152 D154 R158 N211 D236 N256
Annotation score4
Binding affinityMOAD: Kd=0.2uM
PDBbind-CN: -logKd/Ki=6.70,Kd=0.2uM
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:1gca, PDBe:1gca, PDBj:1gca
PDBsum1gca
PubMed8240551
UniProtP23905|MGLB_SALTY D-galactose/methyl-galactoside binding periplasmic protein MglB (Gene Name=mglB)

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