Structure of PDB 7c6w Chain A Binding Site BS04

Receptor Information
>7c6w Chain A (length=414) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTLEVWIMPNSPQPAEDFKALVAPFEKAHGVEVKVTVLDWGVAWTKITTA
ATSGVGPDLTQLGTTWVGAISAMGVLEPVDDVLEALGGEKAYLPAVWRTT
RLEGARQATAVPWFSELRAFYYRTDALKAAGVNPAEMFASWQGFEAGLAR
LKASSFRDPETKAPLAPLCTPGRTPRTLHNAAPWIWGAGGEIVRQAGGRW
QSALNSPESLEGLYFFLSLAQKGYVPAESLEKNTAQIEADFQAGKCAVFA
SGPWMIQRAQVPEAKGGFAERTAAKNLGVAPYPAGPKGRYTFFGGSNLAL
FNFSKNKPLAKELLKYLGGPEAQVRYAQMTGMLPALRSAWSDPSFQQNPL
LRTFIQAAQFGRTYPSLAGWGGVENLAVQHLGMAWDLVAQGRLTREALKD
LMDKASAAINQALR
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 chain7c6w Chain B Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c6w Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		G64 T65 T66 E117 H180 G296
Binding residue
(residue number reindexed from 1)		G63 T64 T65 E116 H179 G295
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:7c6w, PDBe:7c6w, PDBj:7c6w
PDBsum7c6w
PubMed32866452
UniProtQ53W80

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