Structure of PDB 7c68 Chain A Binding Site BS04

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 4 [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)		G64 T65 T66 W67 E117 W177 H181 G297 E376
Binding residue
(residue number reindexed from 1)		G64 T65 T66 W67 E117 W177 H181 G297 E376
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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