Structure of PDB 6j33 Chain B Binding Site BS02

Receptor Information
>6j33 Chain B (length=1053) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVVVRLPDVAVPGEAVQASARQAVIHLVDIAGITSSTPADYATKNLYLW
NNETCDALSAPVADWNDVSTTPTGSDKYGPYWVIPLTKESGCINVIVRDG
TNKLIDSDLRVSFSDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALADAH
WVDKTTLLWPGGENKPIVRLYYSHSSKVAADSNGEFSDKYVKLTPTTVSQ
QVSMRFPHLASYPAFKLPDDVNVDELLQGETVAIAAESDGILSSATQVQT
AGVLDDTYAAAAEALSYGAQLTDSGVTFRVWAPTAQQVELVIYSADKKVI
ASHPMTRDSASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTDPY
AHSLSTNSEYSQVVDLNDSALKPEGWDGLTMPHAQKTKADLAKMTIHESH
IRDLSAWDQTVPAELRGKYLALTAQESNMVQHLKQLSASGVTHIELLPVF
DLATVNEFSDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVLTQ
LKQNDSKDNPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGTAR
IKEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYYQR
LNETTGSVESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDLMG
YHPKAQILSAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTGIG
TFSDRLRDAVRGGGPFDSGDALRQNQGVGSGAGVLPNELTTLSDDQARHL
ADLTRLGMAGNLADFVLIDKDGAVKRGSEIDYNGAPGGYAADPTEVVNYV
SKHDNQTLWDMISYKAAQEADLDTRVRMQAVSLATVMLGQGIAFDQQGSE
LLRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVGMPRSSDDGSNYDIIARV
KDAVATPGETELKQMTAFYQELTALRKSSPLFTLGDGATVMKRVDFRNTG
ADQQTGLLVMTIDDGMQAGASLDSRVDGIVVAINAAPESRTLQDFAGTSL
QLSAIQQAAGDRSLASGVQVAADGSVTLPAWSVAVLELPQGESQGAGLPV
SSK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6j33 Chain B Residue 1101 [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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PDB6j33 Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Resolution1.297 Å
Binding residue
(original residue number in PDB)		D481 L482 E487 E568
Binding residue
(residue number reindexed from 1)		D451 L452 E457 E538
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:6j33, PDBe:6j33, PDBj:6j33
PDBsum6j33
PubMed31478902
UniProtW9BQ28

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