Structure of PDB 3edf Chain B Binding Site BS09

Receptor Information
>3edf Chain B (length=597) Species: 197856 (Flavobacterium sp. 92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTAIEHMEPPFWWAGMQHKGLQLMVHGRDIGRMEAALDYPGVRLVSPTRV
PNANYLFVDLEIGPEAQPGSFDIVFKGDGRSERYRYRLLAREQGSAQRQG
FGPGDAIYQIMPDRFANGDPSNDNVAGMREQADRRHGGGRHGGDIRGTID
HLDYIAGLGFTQLWPTPLVENDAAAYSYHGYAATDHYRIDPRYGSNEDFV
RLSTEARKRGMGLIQDVVLSHIGKHHWWMKDLPTPDWINYGGKFVPTQHH
RVAVQDPYAAQADSENFTKGWFVEGMPDLNQTNPLVANYLIQNNIWWIEY
AGLSGLRIDTYGYSDGAFLTEYTRRLMAEYPRLNMVGQEWSTRVPVVARW
QRGKANFDGYTSHLPSLMDFPLVDAMRNALSKTGEENGLNEVYETLSLDY
LYPEPQNLVLFGGNHDMARMFSAAGEDFDRWRMNLVFLMTMPRIPQFYSG
DEILMTSTVKGRDDASYRRDFPGGWAGDKANAFSGAGLTSQQRAAQDLVR
KLANWRKNQPVIHNGRLMHFGPEENTWVYFRYNKDKRIMVAMNNNDKPMT
LPTARFQEMLKGAPSGVDFLSGKTVGLGRELRLAPKSVVVIELPGLP
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 chain3edf Chain F Residue 6 [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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PDB3edf Structural base for enzymatic cyclodextrin hydrolysis
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H251 R253 W342 R464
Binding residue
(residue number reindexed from 1)		H249 R251 W340 R462
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D218 R309 D311 Q340 H417 D418
Catalytic site (residue number reindexed from 1) D216 R307 D309 Q338 H415 D416
Enzyme Commision number 3.2.1.54: cyclomaltodextrinase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links
PDB RCSB:3edf, PDBe:3edf, PDBj:3edf
PDBsum3edf
PubMed19014948
UniProtQ8KKG0

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