Structure of PDB 6j34 Chain A Binding Site BS04

Receptor Information
>6j34 Chain A (length=930) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVRLVYDSRADAFRAAFGVALADAHWVDKTTLLWPGGENKPIVRLYYS
HSSKVAADSNGEFSDKYVKLTPTTVSQQVSMRFPHLASYPAFKLPDDVNV
DELLQGETVAIAAESDGILSSATQVQTAGVLDDTYAAAAEALSYGAQLTD
SGVTFRVWAPTAQQVELVIYSADKKVIASHPMTRDSASGAWSWQGGSDLK
GAFYRYAMTVYHPQSRKVEQYEVTDPYAHSLSTNSEYSQVVDLNDSALKP
EGWDGLTMPHAQKTKADLAKMTIHESHIRDLSAWDQTVPAELRGKYLALT
AQESNMVQHLKQLSASGVTHIELLPVFDLATVNEFSDKVADIQQPFSRLC
EVNSAVKSSEFAGYCDSGSTVEEVLTQLKQNDSKDNPQVQALNTLVAQTD
SYNWGYDPFHYTVPEGSYATDPEGTARIKEFRTMIQAIKQDLGMNVIMDV
VYNHTNAAGPTDRTSVLDKIVPWYYQRLNETTGSVESATCCSDSAPEHRM
FAKLIADSLAVWTTDYKIDGFRFDLMGYHPKAQILSAWERIKALNPDIYF
FGEGWDSNQSDRFEIASQINLKGTGIGTFSDRLRDAVRGGGPFDSGDALR
QNQGVGSGAGVLPNELTTLSDDQARHLADLTRLGMAGNLADFVLIDKDGA
VKRGSEIDYNGAPGGYAADPTEVVNYVSKHDNQTLWDMISYKAAQEADLD
TRVRMQAVSLATVMLGQGIAFDQQGSELLRSKSFTRDSYDSGDWFNRVDY
SLQDNNYNVGMPRSSDDGSNYDIIARVKDAVATPGETELKQMTAFYQELT
ALRKSSPLFTLGDGATVMKRVDFRNTGADQQTGLLVMTIDDGMQAGASLD
SRVDGIVVAINAAPESRTLQDFAGTSLQLSAIQQAAGDRSLASGVQVAAD
GSVTLPAWSVAVLELPQGESQGAGLPVSSK
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 chain6j34 Chain C 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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PDB6j34 Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Resolution1.498 Å
Binding residue
(original residue number in PDB)		W557 D677 L678 E706 H833 D834
Binding residue
(residue number reindexed from 1)		W404 D524 L525 E553 H680 D681
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:6j34, PDBe:6j34, PDBj:6j34
PDBsum6j34
PubMed31478902
UniProtW9BQ28

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