Structure of PDB 5zce Chain A Binding Site BS05

Receptor Information
>5zce Chain A (length=545) Species: 1409 (Bacillus sp. (in: firmicutes)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KWWKEAVAYQIYPRSFMDSNGDGIGDIQGVISKLDYLSDLGIDVIWICPI
YQSPNDDNGYDISDYKDIMKDFGTMEDFDELLDEVHHRGMKLIMDLVINH
TSDEHPWFLESRSAKENPYRDYYIWHEGKDGKEPNNWESIFSGSAWEFDE
KTKEYYMHVFSKKQPDLNWENEKVRHELYEMVNWWLDKGIDGFRVDAISH
IKKVAGFPDLPNPEKLDYVPSFEGHMNRPGIQEHLKELKEKTFAKYDIMT
VGQANGVTSDSADEWVAEDGGNFNMIFQFEHMGLWKPLDLIELKTILTNW
QNGLEKINGWNALYLENHDQIRSVNKFGSTAYRVESAKCLAALYFLMKGT
PFIYQGQELGMTNVKFDSIDDYDDVGMINYYRIQREKGDSHDEIMKVIWE
TGRDNSRTPMQWNTEKNAGFSTGNPWMKVNPNYVDINVEEQKSDKNSVLN
FYKQLIKIRKQHDVLVYGTYKLLAEEDSAIYAYTRTLEGKTAVVICNMSP
NNQTFEFPSSFTNIEVLIHNYPLDKNETLEQCTLHPYETRVYLIS
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 chain5zce 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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PDB5zce Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity.
Resolution1.555 Å
Binding residue
(original residue number in PDB)		D21 N23 D25 I27 D29
Binding residue
(residue number reindexed from 1)		D18 N20 D22 I24 D26
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D98 R197 D199 Q256 H326 D327
Catalytic site (residue number reindexed from 1) D95 R194 D196 Q253 H318 D319
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009313 oligosaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5zce, PDBe:5zce, PDBj:5zce
PDBsum5zce
PubMed29870070
UniProtA0A2Z5WH92

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