Structure of PDB 5ync Chain A Binding Site BS07

Receptor Information
>5ync Chain A (length=1052) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVRLPDVAVPGEAVQASARQAVIHLVDIAGITSSTPADYATKNLYLWN
NETCDALSAPVADWNDVSTTPTGSDKYGPYWVIPLTKESGCINVIVRDGT
NKLIDSDLRVSFSDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALADAHW
VDKTTLLWPGGENKPIVRLYYSHSSKVAADSNGEFSDKYVKLTPTTVNQQ
VSMRFPHLASYPAFKLPDDVNVDELLQGETVAIAAESDGILSSATQVQTA
GVLDDTYAAAAEALSYGAQLTDSGVTFRVWAPTAQQVELVIYSADKKVIA
SHPMTRDSASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTDPYA
HSLSTNSEYSQVVDLNDSALKPEGWDGLTMPHAQKTKADLAKMTIHESHI
RDLSAWDQTVPAELRGKYLALTAQESNMVQHLKQLSASGVTHIELLPVFD
LATVNEFSDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVLTQL
KQNDSKDNPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGTARI
KEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYYQRL
NETTGSVESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDLMLY
HPKAQILSAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTGIGT
FSDRLRDAVRGGGPFDSGDALRQNQGVGSGAGVLPNELTTLSDDQARHLA
DLTRLGMAGNLADFVLIDKDGAVKRGSEIDYNGAPGGYAADPTEVVNYVS
KHDNQTLWDMISYKAAQEADLDTRVRMQAVSLATVMLGQGIAFDQQGSEL
LRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVGMPRSSDDGSNYDIIARVK
DAVATPGETELKQMTAFYQELTALRKSSPLFTLGDGATVMKRVDFRNTGA
DQQTGLLVMTIDDGMQAGASLDSRVDGIVVAINAAPESRTLQDFAGTSLQ
LSAIQQAAGDRSLASGVQVAADGSVTLPAWSVAVLELPQGESQGAGLPVS
SK
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 chain5ync 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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PDB5ync Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Resolution2.32 Å
Binding residue
(original residue number in PDB)		D994 S1001 D1003 V1006 Q1070
Binding residue
(residue number reindexed from 1)		D963 S970 D972 V975 Q1039
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:5ync, PDBe:5ync, PDBj:5ync
PDBsum5ync
PubMed30387770
UniProtW9BQ28

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