Structure of PDB 7c66 Chain A Binding Site BS01

Receptor Information
>7c66 Chain A (length=418) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKTLEVWIMPNSPQPAEDFKALVAPFEKAHGVEVKVTVLDWGVAWTKITT
AATSGVGPDLTQLGTTWVGAISAMGVLEPVDDVLEALGGEKAYLPAVWRT
TRLEGARQATAVPWFSELRAFYYRTDALKAAGVNPAEMFASWQGFEAGLA
RLKASSFRDPETKAPLAPLCTPGKNSWDVLHNAAPWIWGAGGEIVRQAGG
RWQSALNSPESLEGLYFFLSLAQKGYVPAESLEKNTAQIEADFQAGKCAV
FASGPWMIQRAQVPEAKGGFAERTAAKNLGVAPYPAGPKGRYTFFGGSNL
ALFNFSKNKPLAKELLKYLGGPEAQVRYAQMTGMLPALRSAWSDPSFQQN
PLLRTFIQAAQFGRTYPSLAGWGGVENLAVQHLGMAWDLVAQGRLTREAL
KDLMDKASAAINQALRHH
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 chain7c66 Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c66 Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W41 E117 W177 D178
Binding residue
(residue number reindexed from 1)		W41 E117 W177 D178
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:1901982 maltose binding
Biological Process
GO:0015768 maltose 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:7c66, PDBe:7c66, PDBj:7c66
PDBsum7c66
PubMed32866452
UniProtQ53W80

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