Structure of PDB 7c68 Chain A Binding Site BS03

Receptor Information
>7c68 Chain A (length=417) 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
KDLMDKASAAINQALRH
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain7c68 Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c68 Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		W41 E117 D178 W256
Binding residue
(residue number reindexed from 1)		W41 E117 D178 W256
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:7c68, PDBe:7c68, PDBj:7c68
PDBsum7c68
PubMed32866452
UniProtQ53W80

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