Structure of PDB 6j34 Chain A Binding Site BS07

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 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 chain6j34 Chain A Residue 1112 [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)		A550 D553 Y555 D893
Binding residue
(residue number reindexed from 1)		A397 D400 Y402 D740
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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