Structure of PDB 5hxm Chain A Binding Site BS05

Receptor Information
>5hxm Chain A (length=1060) Species: 1639 (Listeria monocytogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDGEYHSPYGDDDLYTVQPTERSPRDPKAGEDVILNITTWPIENGQDVWV
EWTKNGVAQENVTAAYDYNSGNNTYWKADLGKFEKGDEITYTTKGSTNGG
TAYESGPFTFYVTDWEYVQDVTSVVDNGDSITLNMTATAGDFSPKLYLSF
EDLDTLRMELSPTGKETGHAGKSGYTVEDTAEKVTVTTEDLSIEIQKSPY
RMEVHQADGTLLTSEYTTANSLGWLTDGKNVINQYQNNFMTPSDEAFYGF
GERYDTINQRGKDVETYVYNEYQDQAQTERTYLAVPFFVSANKYGMYVNS
DFHSQFQMASKVEDKYSFVLDNDGDMTNMLDYYVISGKDQNDIVNNYTDI
TGKTTLLPKWAFGLWMSANEWDRESDVSSALSNAKANDIPATGFVLEQWS
DEETYYIWNNATYTAKKNGEAFSYDDFTFNGKWTDPKGMVDSVHDAGMNI
VLWQVPVLKDDGTVYEQRDNDEEYMISQGYSADDGTGAPYRVPASQWFGN
GILLDFTNKDAVDWWTSQREYLLTEVGIDGFKTDGGEMVWGRDTTFSNGE
KGQEMRNRYPTDYVSSYFDFAKSINPEAVSFSRSGTSGAQKSGIYWSGDQ
TSTFDSFQASLKAGLSASTSGVSYWAWDMAGFTGDYPTAELYKRATAMAA
FAPIMQFHSEKSDPSPSEERSPWNAVARTGDETILPTFQKYLYTRMNLLP
YIYTAAKDTADNGKSMMRQMAMDYPEDVNARDLDEQYMFGDDLLVAPIVQ
EGQTEKEVYLPEGEWVDIWNGGVHPGGETISYYADVDTLPVFAKAGAIIP
MNMTDGYQLGQNVGNDLKSYDNLTFRVYPSGDSEYSFYDDVNGGEMRDIS
VSEDFANEKVSVDLPAMADETTMQVFSTEPTSVTIDGADVAKADTLDAFN
EATTGYYYDTVQNLTYVKAAAKDAKQAIVLNGVNHAPYEAEFGHLTNVTT
ASDHAGYTGTGFVAGFDAEKEAVEFDIDAVDGASDYTMEVRYSAGVEDAT
RTVYINGKKQQITLPKTANWDTWNTVEVPVTLQAGNNQVVFDFEADDTAG
INFDHVVIKK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5hxm Chain A Residue 1106 [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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PDB5hxm Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E939 E941 T958 G961 D1054
Binding residue
(residue number reindexed from 1)		E939 E941 T958 G961 D1054
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.177: alpha-D-xyloside xylohydrolase.
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:5hxm, PDBe:5hxm, PDBj:5hxm
PDBsum5hxm
PubMed28089449
UniProtQ8Y4J2

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