Structure of PDB 2fhf Chain A Binding Site BS04

Receptor Information
>2fhf Chain A (length=1052) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVRLPDVAVPGEAVQASARQAVIHLVDIAGITSSTPADYATKNLYLWN
NETCDALSAPVADWNDVSTTPTGSDKYGPYWVIPLTKESGCINVIVRDGT
NKLIDSDLRVSFSDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALADAHW
VDKTTLLWPGGENKPIVRLYYSHSSKVAADSNGEFSDKYVKLTPTTVNQQ
VSMRFPHLASYPAFKLPDDVNVDELLQGETVAIAAESDGILSSATQVQTA
GVLDDTYAAAAEALSYGAQLTDSGVTFRVWAPTAQQVELVIYSADKKVIA
SHPMTRDSASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTDPYA
HSLSTNSEYSQVVDLNDSALKPEGWDGLTMPHAQKTKADLAKMTIHESHI
RDLSAWDQTVPAELRGKYLALTAQESNMVQHLKQLSASGVTHIELLPVFD
LATVNEFSDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVLTQL
KQNDSKDNPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGTARI
KEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYYQRL
NETTGSVESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDLMLY
HPKAQILSAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTGIGT
FSDRLRDAVRGGGPFDSGDALRQNQGVGSGAGVLPNELTTLSDDQARHLA
DLTRLGMAGNLADFVLIDKDGAVKRGSEIDYNGAPGGYAADPTEVVNYVS
KHDNQTLWDMISYKAAQEADLDTRVRMQAVSLATVMLGQGIAFDQQGSEL
LRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVGMPRSSDDGSNYDIIARVK
DAVATPGETELKQMTAFYQELTALRKSSPLFTLGDGATVMKRVDFRNTGA
DQQTGLLVMTIDDGMQAGASLDSRVDGIVVAINAAPESRTLQDFAGTSLQ
LSAIQQAAGDRSLASGVQVAADGSVTLPAWSVAVLELPQGESQGAGLPVS
SK
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 chain2fhf 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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PDB2fhf Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
Resolution1.65 Å
Binding residue
(original residue number in PDB)		W557 Y559 D677 E706 H833 D834
Binding residue
(residue number reindexed from 1)		W526 Y528 D646 E675 H802 D803
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:2fhf, PDBe:2fhf, PDBj:2fhf
PDBsum2fhf
PubMed16650854
UniProtW9BQ28

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