Structure of PDB 1h3g Chain B Binding Site BS02

Receptor Information
>1h3g 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]
PTAIEHMEPPFWWAGMQHKGLQLMVHGRDIGRMEAALDYPGVRLVSTTRV
PNANYLFVDLEIGPEAQPGSFDIVFKGDGRSERYRYRLLAREQGSAQRQG
FGPGDAIYQIMPDRFANGDPSNDNVAGMREQADRRHGGGRHGGDIRGTID
HLDYIAGLGFTQLWPTPLVENDAAAYSYHGYAATDHYRIDPRYGSNEDFV
RLSTEARKRGMGLIQDVVLSHIGKHHWWMKDLPTPDWINYGGKFVPTQHH
RVAVQDPYAAQADSENFTKGWFVEGMPDLNQTNPLVANYLIQNNIWWIEY
AGLSGLRIDTYGYSDGAFLTEYTRRLMAEYPRLNMVGEEWSTRVPVVARW
QRGKANFDGYTSHLPSLMDFPLVDAMRNALSKTGEENGLNEVYETLSLDY
LYPEPQNLVLFGGNHDMARMFSAAGEDFDRWRMNLVFLMTMPRIPQFYSG
DEILMTSTVKGRDDASYRRDFPGGWAGDKANAFSGAGLTSQQRAAQDLVR
KLANWRKNQPVIHNGRLMHFGPEENTWVYFRYNKDKRIMVAMNNNDKPMT
LPTARFQEMLKGAPSGVDFLSGKTVGLGRELRLAPKSVVVIELPGLP
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 chain1h3g Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h3g Covalent and Three-Dimensional Structure of the Cyclodextrinase from Flavobacterium Sp. No. 92.
Resolution2.1 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 score1
Enzymatic activity
Catalytic site (original residue number in PDB) D218 R309 D311 E340 H417 D418
Catalytic site (residue number reindexed from 1) D216 R307 D309 E338 H415 D416
Enzyme Commision number 3.2.1.54: cyclomaltodextrinase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
GO:0047798 cyclomaltodextrinase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1h3g, PDBe:1h3g, PDBj:1h3g
PDBsum1h3g
PubMed12752453
UniProtQ8KKG0

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