Structure of PDB 5ynd Chain A Binding Site BS05

Receptor Information
>5ynd Chain A (length=1055) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPQDVVVRLPDVAVPGEAVQASARQAVIHLVDIAGITSSTPADYATKNLY
LWNNETCDALSAPVADWNDVSTTPTGSDKYGPYWVIPLTKESGCINVIVR
DGTNKLIDSDLRVSFSDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALAD
AHWVDKTTLLWPGGENKPIVRLYYSHSSKVAADSNGEFSDKYVKLTPTTV
NQQVSMRFPHLASYPAFKLPDDVNVDELLQGETVAIAAESDGILSSATQV
QTAGVLDDTYAAAAEALSYGAQLTDSGVTFRVWAPTAQQVELVIYSADKK
VIASHPMTRDSASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTD
PYAHSLSTNSEYSQVVDLNDSALKPEGWDGLTMPHAQKTKADLAKMTIHE
SHIRDLSAWDQTVPAELRGKYLALTAQESNMVQHLKQLSASGVTHIELLP
VFDLATVNEFSDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVL
TQLKQNDSKDNPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGT
ARIKEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYY
QRLNETTGSVESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDL
MLYHPKAQILSAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTG
IGTFSDRLRDAVRGGGPFDSGDALRQNQGVGSGAGVLPNELTTLSDDQAR
HLADLTRLGMAGNLADFVLIDKDGAVKRGSEIDYNGAPGGYAADPTEVVN
YVSKHDNQTLWDMISYKAAQEADLDTRVRMQAVSLATVMLGQGIAFDQQG
SELLRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVGMPRSSDDGSNYDIIA
RVKDAVATPGETELKQMTAFYQELTALRKSSPLFTLGDGATVMKRVDFRN
TGADQQTGLLVMTIDDGMQAGASLDSRVDGIVVAINAAPESRTLQDFAGT
SLQLSAIQQAAGDRSLASGVQVAADGSVTLPAWSVAVLELPQGESQGAGL
PVSSK
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 chain5ynd Chain A Residue 1104 [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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PDB5ynd Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Resolution2.227 Å
Binding residue
(original residue number in PDB)		D994 S1001 D1003 V1006 D1007 Q1070
Binding residue
(residue number reindexed from 1)		D966 S973 D975 V978 D979 Q1042
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.41: pullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0051060 pullulanase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ynd, PDBe:5ynd, PDBj:5ynd
PDBsum5ynd
PubMed30387770
UniProtW9BQ28

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