Structure of PDB 2gh9 Chain A Binding Site BS03

Receptor Information
>2gh9 Chain A (length=378) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KITVWTHFGGPELEWLKEQARTFERTSGTKVEVVEVPFAEIKQKFILGAP
QGQAADLVVTVPHDWVGEMAQAGVLEPVGKYVTQAYLADLQGVAVEAFTF
GGRLMGLPAFAESVALIYNKKYVKEPPRTWEEFLALAQKLTTGATFGFLY
NIGDPYFNFGFFKAFGAENVFAKDAKGNLDPTKLLIGGEVGEKALQFIKD
LRFKYNLVPEGVDYGVADGAFKDGALAMILNGPWALGDYKKAKVDFGIAP
FPVPPGAKNPWGPFLGVQGVVVNAYSKNKTQAVNFAKTLVTGRNLVAFNQ
AGGRIPVSKSAVKQLEKDPVVAGFSKVFPLGAPMPNIPEMGKVWGPWGNA
ISLAIQRPDSNVKKIVEDMVAEIKKAIG
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2gh9 Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gh9 Structural adaptations that modulate monosaccharide, disaccharide, and trisaccharide specificities in periplasmic maltose-binding proteins.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P63 D65 W66 D155 Y157 W345
Binding residue
(residue number reindexed from 1)		P62 D64 W65 D154 Y156 W344
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015144 carbohydrate transmembrane transporter activity
GO:1901982 maltose binding
Biological Process
GO:0008643 carbohydrate transport
GO:0015768 maltose transport
GO:0034219 carbohydrate transmembrane transport
GO:0042956 maltodextrin transmembrane transport
Cellular Component
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:2gh9, PDBe:2gh9, PDBj:2gh9
PDBsum2gh9
PubMed19361522
UniProtQ72I44

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