Structure of PDB 6j35 Chain B Binding Site BS04

Receptor Information
>6j35 Chain B (length=1045) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVVVRLPDVAVPGEAVQASARQAVIHLVDIADYATKNLYLWNNETCDAL
SAPVADWNDVSTTPTGSDKYGPYWVIPLTKESGCINVIVRDGTNKLIDSD
LRVSFSDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALADAHWVDKTTLL
WPGGENKPIVRLYYSHSSKVAADSNGEFSDKYVKLTPTTVSQQVSMRFPH
LASYPAFKLPDDVNVDELLQGETVAIAAESDGILSSATQVQTAGVLDDTY
AAAAEALSYGAQLTDSGVTFRVWAPTAQQVELVIYSADKKVIASHPMTRD
SASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTDPYAHSLSTNS
EYSQVVDLNDSALKPEGWDGLTMPHAQKTKADLAKMTIHESHIRDLSAWD
QTVPAELRGKYLALTAQESNMVQHLKQLSASGVTHIELLPVFDLATVNEF
SDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVLTQLKQNDSKD
NPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGTARIKEFRTMI
QAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYYQRLNETTGSV
ESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDLMLYHPKAQIL
SAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTGIGTFSDRLRD
AVRGGGPFDSGDALRQNQGVGSGAGVLPNELTTLSDDQARHLADLTRLGM
AGNLADFVLIDKDGAVKRGSEIDYNGAPGGYAADPTEVVNYVSKHDNQTL
WDMISYKAAQEADLDTRVRMQAVSLATVMLGQGIAFDQQGSELLRSKSFT
RDSYDSGDWFNRVDYSLQDNNYNVGMPRSSDDGSNYDIIARVKDAVATPG
ETELKQMTAFYQELTALRKSSPLFTLGDGATVMKRVDFRNTGADQQTGLL
VMTIDDGMQAGASLDSRVDGIVVAINAAPESRTLQDFAGTSLQLSAIQQA
AGDRSLASGVQVAADGSVTLPAWSVAVLELPQGESQGAGLPVSSK
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 chain6j35 Chain B Residue 1105 [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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PDB6j35 Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Resolution1.839 Å
Binding residue
(original residue number in PDB)		D481 L482 E487 E568
Binding residue
(residue number reindexed from 1)		D443 L444 E449 E530
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:6j35, PDBe:6j35, PDBj:6j35
PDBsum6j35
PubMed31478902
UniProtW9BQ28

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