Structure of PDB 6j33 Chain A Binding Site BS02

Receptor Information
>6j33 Chain A (length=1045) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVRLPDVAVPGEAVQASARQAVIHLVDIAGDYATKNLYLWNNETCDAL
SAPVADWNDVSTTPTGSDKYGPYWVIPLTKESGCINVIVRDGTNKLIDSD
LRVSFSDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALADAHWVDKTTLL
WPGGENKPIVRLYYSHSSKVAADSNGEFSDKYVKLTPTTVSQQVSMRFPH
LASYPAFKLPDDVNVDELLQGETVAIAAESDGILSSATQVQTAGVLDDTY
AAAAEALSYGAQLTDSGVTFRVWAPTAQQVELVIYSADKKVIASHPMTRD
SASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTDPYAHSLSTNS
EYSQVVDLNDSALKPEGWDGLTMPHAQKTKADLAKMTIHESHIRDLSAWD
QTVPAELRGKYLALTAQESNMVQHLKQLSASGVTHIELLPVFDLATVNEF
SDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVLTQLKQNDSKD
NPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGTARIKEFRTMI
QAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYYQRLNETTGSV
ESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDLMGYHPKAQIL
SAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTGIGTFSDRLRD
AVRGGGPFDSGDALRQNQGVGSGAGVLPNELTTLSDDQARHLADLTRLGM
AGNLADFVLIDKDGAVKRGSEIDYNGAPGGYAADPTEVVNYVSKHDNQTL
WDMISYKAAQEADLDTRVRMQAVSLATVMLGQGIAFDQQGSELLRSKSFT
RDSYDSGDWFNRVDYSLQDNNYNVGMPRSSDDGSNYDIIARVKDAVATPG
ETELKQMTAFYQELTALRKSSPLFTLGDGATVMKRVDFRNTGADQQTGLL
VMTIDDGMQAGASLDSRVDGIVVAINAAPESRTLQDFAGTSLQLSAIQQA
AGDRSLASGVQVAADGSVTLPAWSVAVLELPQGESQGAGLPVSSK
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 A Residue 1103 [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)		D148 T150 D162
Binding residue
(residue number reindexed from 1)		D110 T112 D124
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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