Structure of PDB 4kwu Chain A Binding Site BS12

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 1119 [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)		D798 N801 H805 Y813 Y814
Binding residue
(residue number reindexed from 1)		D766 N769 H773 Y781 Y782
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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