Structure of PDB 4kwu Chain A Binding Site BS09

Receptor Information
>4kwu Chain A (length=1059) Species: 169963 (Listeria monocytogenes EGD-e) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGEYHSPYGDDDLYTVQPTERSPRDPKAGEDVILNITTWPIENGQDVWVE
WTKNGVAQENVTAAYDYNSGNNTYWKADLGKFEKGDEITYTTKGSTNGGT
AYESGPFTFYVTDWEYVQDVTSVVDNGDSITLNMTATAGDFSPKLYLSFE
DLDTLRMELSPTGKETGHAGKSGYTVEDTAEKVTVTTEDLSIEIQKSPYR
MEVHQADGTLLTSEYTTANSLGWLTDGKNVINQYQNNFMTPSDEAFYGFG
ERYDTINQRGKDVETYVYNEYQDQAQTERTYLAVPFFVSANKYGMYVNSD
FHSQFQMASKVEDKYSFVLDNDGDMTNMLDYYVISGKDQNDIVNNYTDIT
GKTTLLPKWAFGLWMSANEWDRESDVSSALSNAKANDIPATGFVLEQWSD
EETYYIWNNATYTAKKNGEAFSYDDFTFNGKWTDPKGMVDSVHDAGMNIV
LWQVPVLKDDGTVYEQRDNDEEYMISQGYSADDGTGAPYRVPASQWFGNG
ILLDFTNKDAVDWWTSQREYLLTEVGIDGFKTDGGEMVWGRDTTFSNGEK
GQEMRNRYPTDYVSSYFDFAKSINPEAVSFSRSGTSGAQKSGIYWSGDQT
STFDSFQASLKAGLSASTSGVSYWAWDMAGFTGDYPTAELYKRATAMAAF
APIMQFHSEKSDPSPSEERSPWNAVARTGDETILPTFQKYLYTRMNLLPY
IYTAAKDTADNGKSMMRQMAMDYPEDVNARDLDEQYMFGDDLLVAPIVQE
GQTEKEVYLPEGEWVDIWNGGVHPGGETISYYADVDTLPVFAKAGAIIPM
NMTDGYQLGQNVGNDLKSYDNLTFRVYPSGDSEYSFYDDVNGGEMRDISV
SEDFANEKVSVDLPAMADETTMQVFSTEPTSVTIDGADVAKADTLDAFNE
ATTGYYYDTVQNLTYVKAAAKDAKQAIVLNGVNHAPYEAEFGHLTNVTTA
SDHAGYTGTGFVAGFDAEKEAVEFDIDAVDGASDYTMEVRYSAGVEDATR
TVYINGKKQQITLPKTANWDTWNTVEVPVTLQAGNNQVVFDFEADDTAGI
NFDHVVIKK
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 chain4kwu Chain A Residue 1116 [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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PDB4kwu 1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e in complex with alpha-D-glucose, beta-D-glucose, magnesium and calcium
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N400 E428 E433 W484
Binding residue
(residue number reindexed from 1)		N368 E396 E401 W452
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4kwu, PDBe:4kwu, PDBj:4kwu
PDBsum4kwu
PubMed
UniProtQ8Y4J2

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