Structure of PDB 3edk Chain B Binding Site BS05

Receptor Information

>3edk Chain B (length=597) Species: 197856 (Flavobacterium sp. 92)

PTAIEHMEPPFWWAGMQHKGLQLMVHGRDIGRMEAALDYPGVRLVSPTRV
PNANYLFVDLEIGPEAQPGSFDIVFKGDGRSERYRYRLLAREQGSAQRQG
FGPGDAIYQIMPDRFANGDPSNDNVAGMREQADRRHGGGRHGGDIRGTID
HLDYIAGLGFTQLWPTPLVENDAAAYSYHGYAATDHYRIDPRYGSNEDFV
RLSTEARKRGMGLIQDVVLSHIGKHHWWMKDLPTPDWINYGGKFVPTQHH
RVAVQDPYAAQADSENFTKGWFVEGMPDLNQTNPLVANYLIQNNIWWIEY
AGLSGLRIDTYGYSDGAFLTEYTRRLMAEYPRLNMVGQEWSTRVPVVARW
QRGKANFDGYTSHLPSLMDFPLVDAMRNALSKTGEENGLNEVYETLSLDY
LYPEPQNLVLFGGNHDMARMFSAAGEDFDRWRMNLVFLMTMPRIPQFYSG
DEILMTSTVKGRDDASYRRDFPGGWAGDKANAFSGAGLTSQQRAAQDLVR
KLANWRKNQPVIHNGRLMHFGPEENTWVYFRYNKDKRIMVAMNNNDKPMT
LPTARFQEMLKGAPSGVDFLSGKTVGLGRELRLAPKSVVVIELPGLP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3edk Chain B Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3edk Structural base for enzymatic cyclodextrin hydrolysis
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): N119 D121 N124 D125 G144 D146
• Binding residue (residue number reindexed from 1): N117 D119 N122 D123 G142 D144
• Annotation score: 1

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

External links

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