Structure of PDB 2fh6 Chain A Binding Site BS02

Receptor Information
>2fh6 Chain A (length=920) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVRLPAFGVALADAHWVDKTTLLWPGGENKPIVRLYYSHSSKVAADSN
GEFSDKYVKLTPTTVNQQVSMRFPHLASYPAFKLPDDVNVDELLQGETVA
IAAESDGILSSATQVQTAGVLDDTYAAAAEALSYGAQLTDSGVTFRVWAP
TAQQVELVIYSADKKVIASHPMTRDSASGAWSWQGGSDLKGAFYRYAMTV
YHPQSRKVEQYEVTDPYAHSLSTNSEYSQVVDLNDSALKPEGWDGLTMPH
AQKTKADLAKMTIHESHIRDLSAWDQTVPAELRGKYLALTAQESNMVQHL
KQLSASGVTHIELLPVFDLATVNEFSDKVADIQQPFSRLCEVNSAVKSSE
FAGYCDSGSTVEEVLTQLKQNDSKDNPQVQALNTLVAQTDSYNWGYDPFH
YTVPEGSYATDPEGTARIKEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGP
TDRTSVLDKIVPWYYQRLNETTGSVESATCCSDSAPEHRMFAKLIADSLA
VWTTDYKIDGFRFDLMLYHPKAQILSAWERIKALNPDIYFFGEGWDSNQS
DRFEIASQINLKGTGIGTFSDRLRDAVRGGGPFDSGDALRQNQGVGSGAG
VLPNELTTLSDDQARHLADLTRLGMAGNLADFVLIDKDGAVKRGSEIDYN
GAPGGYAADPTEVVNYVSKHDNQTLWDMISYKAAQEADLDTRVRMQAVSL
ATVMLGQGIAFDQQGSELLRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVG
MPRSSDDGSNYDIIARVKDAVATPGETELKQMTAFYQELTALRKSSPLFT
LGDGATVMKRVDFRNTGADQQTGLLVMTIDDGMQAGASLDSRVDGIVVAI
NAAPESRTLQDFAGTSLQLSAIQQAAGDRSLASGVQVAADGSVTLPAWSV
AVLELPQGESQGAGLPVSSK
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 chain2fh6 Chain A Residue 2401 [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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PDB2fh6 Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
Resolution1.8 Å
Binding residue
(original residue number in PDB)		A550 D553 Y555 D893
Binding residue
(residue number reindexed from 1)		A387 D390 Y392 D730
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:2fh6, PDBe:2fh6, PDBj:2fh6
PDBsum2fh6
PubMed16650854
UniProtW9BQ28

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