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Receptor Information

>3edk Chain A (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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

3edk Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3edk Structural base for enzymatic cyclodextrin hydrolysis
Resolution	1.77 Å
Binding residue (original residue number in PDB)	S222 T270 D280 Y315
Binding residue (residue number reindexed from 1)	S220 T268 D278 Y313
Annotation score	1

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.

	Biological Process
GO:0005975	carbohydrate metabolic process

PDB	RCSB:3edk, PDBe:3edk, PDBj:3edk
PDBsum	3edk
PubMed	19014948
UniProt	Q8KKG0

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Structure of PDB 3edk Chain A Binding Site BS07