Structure of PDB 7c6i Chain A Binding Site BS02

Receptor Information
>7c6i Chain A (length=420) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQKTLEVWIMPNSPQPAEDFKALVAPFEKAHGVEVKVTVLDWGVAWTKIT
TAATSGVGPDLTQLGTTWVGAISAMGVLEPVDDVLEALGGEKAYLPAVWR
TTRLEGARQATAVPWFSELRAFYYRTDALKAAGVNPAEMFASWQGFEAGL
ARLKASSFRDPETKAPLAPLCTPGRTPRTLHNAAPWIWGAGGEIVRQAGG
RWQSALNSPESLEGLYFFLSLAQKGYVPAESLEKNTAQIEADFQAGKCAV
FASGPWMIQRAQVPEAKGGFAERTAAKNLGVAPYPAGPKGRYTFFGGSNL
ALFNFSKNKPLAKELLKYLGGPEAQVRYAQMTGMLPALRSAWSDPSFQQN
PLLRTFIQAAQFGRTYPSLAGWGGVENLAVQHLGMAWDLVAQGRLTREAL
KDLMDKASAAINQALRHHHH
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 chain7c6i Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c6i Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		W41 G64 T65 T66 W67 E117 G295 G296
Binding residue
(residue number reindexed from 1)		W42 G65 T66 T67 W68 E118 G296 G297
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:7c6i, PDBe:7c6i, PDBj:7c6i
PDBsum7c6i
PubMed32866452
UniProtQ53W80

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