Structure of PDB 6dtq Chain A Binding Site BS01

Receptor Information
>6dtq Chain A (length=391) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVKITMTSGGVGKELEVLKKQLEMFHQQYPDIEVEIIPMPDSSTERHDLY
VTYFAAGETDPDVLMLDVIWPAEFAPFLEDLTADKDYFELGEFLPGTVMS
VTVNGRIVAVPWFTDAGLLYYRKDLLEKYGYDHAPRTWDELVEMAKKISQ
AEGIHGFVWQGARYEGLVCDFLEYLWSFGGDVLDESGKVVIDSPEAVAAL
QFMVDLIYKHKVTPEGVTTYMEEDARRIFQNGEAVFMRNWPYAWSLVNSD
ESPIKGKVGVAPLPMGPGGRRAATLGGWVLGINKFSSPEEKEAAKKLIKF
LTSYDQQLYKAINAGQNPTRKAVYKDPKLKEAAPFMVELLGVFINALPRP
RVANYTEVSDVIQRYVHAALTRQTTSEDAIKNIAKELKFLL
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 chain6dtq Chain E Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6dtq Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		V29 E32 R64 D133 W258 W296 Q334
Binding residue
(residue number reindexed from 1)		V11 E14 R46 D115 W240 W278 Q316
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6dtq, PDBe:6dtq, PDBj:6dtq
PDBsum6dtq
PubMed30204415
UniProtG4FGN8

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