Structure of PDB 6j4h Chain A Binding Site BS01

Receptor Information
>6j4h Chain A (length=917) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVRLGVALADAHWVDKTTLLWPGGENKPIVRLYYSHSSKVAADSNGEF
SDKYVKLTPTTVSQQVSMRFPHLASYPAFKLPDDVNVDELLQGETVAIAA
ESDGILSSATQVQTAGVLDDTYAAAAEALSYGAQLTDSGVTFRVWAPTAQ
QVELVIYSADKKVIASHPMTRDSASGAWSWQGGSDLKGAFYRYAMTVYHP
QSRKVEQYEVTDPYAHSLSTNSEYSQVVDLNDSALKPEGWDGLTMPHAQK
TKADLAKMTIHESHIRDLSAWDQTVPAELRGKYLALTAQESNMVQHLKQL
SASGVTHIELLPVFDLATVNEFSDKVADIQQPFSRLCEVNSAVKSSEFAG
YCDSGSTVEEVLTQLKQNDSKDNPQVQALNTLVAQTDSYNWGYDPFHYTV
PEGSYATDPEGTARIKEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGPTDR
TSVLDKIVPWYYQRLNETTGSVESATCCSDSAPEHRMFAKLIADSLAVWT
TDYKIDGFRFDLMLYHPKAQILSAWERIKALNPDIYFFGEGWDSNQSDRF
EIASQINLKGTGIGTFSDRLRDAVRGGGPFDSGDALRQNQGVGSGAGVLP
NELTTLSDDQARHLADLTRLGMAGNLADFVLIDKDGAVKRGSEIDYNGAP
GGYAADPTEVVNYVSKHDNQTLWDMISYKAAQEADLDTRVRMQAVSLATV
MLGQGIAFDQQGSELLRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVGMPR
SSDDGSNYDIIARVKDAVATPGETELKQMTAFYQELTALRKSSPLFTLGD
GATVMKRVDFRNTGADQQTGLLVMTIDDGMQAGASLDSRVDGIVVAINAA
PESRTLQDFAGTSLQLSAIQQAAGDRSLASGVQVAADGSVTLPAWSVAVL
ELPQGESQGAGLPVSSK
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain6j4h Chain B Residue 1 [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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PDB6j4h Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Resolution1.641 Å
Binding residue
(original residue number in PDB)		W708 D734 R737 F746
Binding residue
(residue number reindexed from 1)		W542 D568 R571 F580
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:6j4h, PDBe:6j4h, PDBj:6j4h
PDBsum6j4h
PubMed31478902
UniProtW9BQ28

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