Structure of PDB 5yne Chain A Binding Site BS05

Receptor Information
>5yne Chain A (length=1054) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQDVVVRLPDVAVPGEAVQASARQAVIHLVDIAGITSSTPADYATKNLYL
WNNETCDALSAPVADWNDVSTTPTGSDKYGPYWVIPLTKESGCINVIVRD
GTNKLIDSDLRVSFSDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALADA
HWVDKTTLLWPGGENKPIVRLYYSHSSKVAADSNGEFSDKYVKLTPTTVN
QQVSMRFPHLASYPAFKLPDDVNVDELLQGETVAIAAESDGILSSATQVQ
TAGVLDDTYAAAAEALSYGAQLTDSGVTFRVWAPTAQQVELVIYSADKKV
IASHPMTRDSASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTDP
YAHSLSTNSEYSQVVDLNDSALKPEGWDGLTMPHAQKTKADLAKMTIHES
HIRDLSAWDQTVPAELRGKYLALTAQESNMVQHLKQLSASGVTHIELLPV
FDLATVNEFSDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVLT
QLKQNDSKDNPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGTA
RIKEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYYQ
RLNETTGSVESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDLM
LYHPKAQILSAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTGI
GTFSDRLRDAVRGGGPFDSGDALRQNQGVGSGAGVLPNELTTLSDDQARH
LADLTRLGMAGNLADFVLIDKDGAVKRGSEIDYNGAPGGYAADPTEVVNY
VSKHDNQTLWDMISYKAAQEADLDTRVRMQAVSLATVMLGQGIAFDQQGS
ELLRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVGMPRSSDDGSNYDIIAR
VKDAVATPGETELKQMTAFYQELTALRKSSPLFTLGDGATVMKRVDFRNT
GADQQTGLLVMTIDDGMQAGASLDSRVDGIVVAINAAPESRTLQDFAGTS
LQLSAIQQAAGDRSLASGVQVAADGSVTLPAWSVAVLELPQGESQGAGLP
VSSK
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 chain5yne Chain A Residue 1102 [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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PDB5yne Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Resolution2.199 Å
Binding residue
(original residue number in PDB)		D481 L482 E487 E568
Binding residue
(residue number reindexed from 1)		D452 L453 E458 E539
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:5yne, PDBe:5yne, PDBj:5yne
PDBsum5yne
PubMed30387770
UniProtW9BQ28

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