Structure of PDB 2fh8 Chain A Binding Site BS04

Receptor Information
>2fh8 Chain A (length=922) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVRLPDAAFGVALADAHWVDKTTLLWPGGENKPIVRLYYSHSSKVAAD
SNGEFSDKYVKLTPTTVNQQVSMRFPHLASYPAFKLPDDVNVDELLQGET
VAIAAESDGILSSATQVQTAGVLDDTYAAAAEALSYGAQLTDSGVTFRVW
APTAQQVELVIYSADKKVIASHPMTRDSASGAWSWQGGSDLKGAFYRYAM
TVYHPQSRKVEQYEVTDPYAHSLSTNSEYSQVVDLNDSALKPEGWDGLTM
PHAQKTKADLAKMTIHESHIRDLSAWDQTVPAELRGKYLALTAQESNMVQ
HLKQLSASGVTHIELLPVFDLATVNEFSDKVADIQQPFSRLCEVNSAVKS
SEFAGYCDSGSTVEEVLTQLKQNDSKDNPQVQALNTLVAQTDSYNWGYDP
FHYTVPEGSYATDPEGTARIKEFRTMIQAIKQDLGMNVIMDVVYNHTNAA
GPTDRTSVLDKIVPWYYQRLNETTGSVESATCCSDSAPEHRMFAKLIADS
LAVWTTDYKIDGFRFDLMLYHPKAQILSAWERIKALNPDIYFFGEGWDSN
QSDRFEIASQINLKGTGIGTFSDRLRDAVRGGGPFDSGDALRQNQGVGSG
AGVLPNELTTLSDDQARHLADLTRLGMAGNLADFVLIDKDGAVKRGSEID
YNGAPGGYAADPTEVVNYVSKHDNQTLWDMISYKAAQEADLDTRVRMQAV
SLATVMLGQGIAFDQQGSELLRSKSFTRDSYDSGDWFNRVDYSLQDNNYN
VGMPRSSDDGSNYDIIARVKDAVATPGETELKQMTAFYQELTALRKSSPL
FTLGDGATVMKRVDFRNTGADQQTGLLVMTIDDGMQAGASLDSRVDGIVV
AINAAPESRTLQDFAGTSLQLSAIQQAAGDRSLASGVQVAADGSVTLPAW
SVAVLELPQGESQGAGLPVSSK
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 chain2fh8 Chain A Residue 2402 [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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PDB2fh8 Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D994 S1001 D1003 V1006 Q1070
Binding residue
(residue number reindexed from 1)		D833 S840 D842 V845 Q909
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:2fh8, PDBe:2fh8, PDBj:2fh8
PDBsum2fh8
PubMed16650854
UniProtW9BQ28

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