Structure of PDB 2yoc Chain A Binding Site BS01

Receptor Information
>2yoc Chain A (length=1051) Species: 571 (Klebsiella oxytoca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVVRLPDVAVPGEAVTAVENQAVIHLVDIAGITSSSAADYSSKNLYLWN
NETCDALSAPVADWNDVSTTPSGSDKYGPYWVIPLNKESGCINVIVRDGT
DKLIDSDLRVAFGDFTDRTVSVIAGNSAVYDSRADAFRAAFGVALAEAHW
VDKNTLLWPGGQDKPIVRLYYSHSSKVAADGEGKFTDRYLKLTPTTVSQQ
VSMRFPHLSSYAAFKLPDNANVDELLQGETVAIAAAEDGILISATQVQTA
GVLDDAYAEAAEALSYGAQLADGGVTFRVWAPTAQQVDVVVYSADKKVIG
SHPMTRDSASGAWSWQGGSDLKGAFYRYAMTVYHPQSRKVEQYEVTDPYA
HSLSTNSEYSQVVDLNDSALKPDGWDNLTMPHAQKTKADLAKMTIHESHI
RDLSAWDQTVPAELRGKYLALTAGDSNMVQHLKTLSASGVTHVELLPVFD
LATVNEFSDKVADIQQPFSRLCEVNSAVKSSEFAGYCDSGSTVEEVLNQL
KQSDSQDNPQVQALNTLVAQTDSYNWGYDPFHYTVPEGSYATDPEGTTRI
KEFRTMIQAIKQDLGMNVIMDVVYNHTNAAGPTDRTSVLDKIVPWYYQRL
NETTGSVESATCCSDSAPEHRMFAKLIADSLAVWTTDYKIDGFRFDLMGY
HPKAQILSAWERIKALNPDIYFFGEGWDSNQSDRFEIASQINLKGTGIGT
FSDRLRDSVRGGGPFDSGDALRQNQGIGSGAGVLPNELASLSDDQVRHLA
DLTRLGMAGNLADFVMIDKDGAAKKGSEIDYNGAPGGYAADPTEVVNYVS
KHDNQTLWDMISYKASQEADLATRVRMQAVSLATVMLGQGIAFDQQGSEL
LRSKSFTRDSYDSGDWFNRVDYSLQDNNYNVGMPRISDDGSNYEVITRVK
EMVATPGEAELKQMTAFYQELTELRKSSPLFTLGDGSAVMKRVDFRNTGS
DQQAGLLVMTVDDGMKAGASLDSRLDGLVVAINAAPESRTLNEFAGETLQ
LSAIQQTAGENSLANGVQIAADGTVTLPAWSVAVLELPQGEAQGAGLPVS
S
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 chain2yoc Chain A Residue 2071 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yoc Structural Basis of Pullulanase Membrane Binding and Secretion Revealed by X-Ray Crystallography, Molecular Dynamics and Biochemical Analysis
Resolution2.88 Å
Binding residue
(original residue number in PDB)		D469 L470 E475 E556
Binding residue
(residue number reindexed from 1)		D450 L451 E456 E537
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N375 D469 L470 E556 D665 E694 D822
Catalytic site (residue number reindexed from 1) N356 D450 L451 E537 D646 E675 D803
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
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2yoc, PDBe:2yoc, PDBj:2yoc
PDBsum2yoc
PubMed26688215
UniProtP07206|PULA_KLEPN Pullulanase (Gene Name=pulA)

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