Structure of PDB 4kmq Chain A Binding Site BS02

Receptor Information
>4kmq Chain A (length=1058) 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
SHAGYTGTGFVAGFDAEKEAVEFDIDAVDGASDYTMEVRYSAGVEDATRT
VYINGKKQQITLPKTANWDTWNTVEVPVTLQAGNNQVVFDFEADDTAGIN
FDHVVIKK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4kmq Chain A Residue 1103 [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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PDB4kmq Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E970 E972 T989 G992 D1085
Binding residue
(residue number reindexed from 1)		E938 E940 T956 G959 D1052
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:4kmq, PDBe:4kmq, PDBj:4kmq
PDBsum4kmq
PubMed27819654
UniProtQ8Y4J2

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