Structure of PDB 5yn2 Chain A Binding Site BS04

Receptor Information
>5yn2 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 chain5yn2 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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PDB5yn2 Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Resolution2.301 Å
Binding residue
(original residue number in PDB)		D994 S1001 D1003 V1006 Q1070
Binding residue
(residue number reindexed from 1)		D965 S972 D974 V977 Q1041
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:5yn2, PDBe:5yn2, PDBj:5yn2
PDBsum5yn2
PubMed30387770
UniProtW9BQ28

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