Structure of PDB 1bg9 Chain A Binding Site BS03

Receptor Information
>1bg9 Chain A (length=403) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVLFQGFNWESWKHNGGWYNFLMGKVDDIAAAGITHVWLPPASQSVAEQG
YMPGRLYDLDASKYGNKAQLKSLIGALHGKGVKAIADIVINHRTAEHKDG
RGIYCIFEGGTPDARLDWGPHMICRDDRPYADGTGNPDTGADFGAAPDID
HLNLRVQKELVEWLNWLKADIGFDGWRFDFAKGYSADVAKIYIDRSEPSF
AVAEIWTSLAYGGDGKPNLNQDQHRQELVNWVDKVGGKGPATTFDFTTKG
ILNVAVEGELWRLRGTDGKAPGMIGWWPAKAVTFVDNHDTGSTQHMWPFP
SDRVMQGYAYILTHPGTPCIFYDHFFDWGLKEEIDRLVSVRTRHGIHNES
KLQIIEADADLYLAEIDGKVIVKLGPRYDVGNLIPGGFKVAAHGNDYAVW
EKI
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 chain1bg9 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bg9 Molecular structure of a barley alpha-amylase-inhibitor complex: implications for starch binding and catalysis.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N91 D138 G140 A141 D148 G183
Binding residue
(residue number reindexed from 1)		N91 D138 G140 A141 D148 G183
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D179 E204 D289
Catalytic site (residue number reindexed from 1) D179 E204 D289
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0005509 calcium ion binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0043169 cation binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005983 starch catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1bg9, PDBe:1bg9, PDBj:1bg9
PDBsum1bg9
PubMed9571044
UniProtP04063|AMY2_HORVU Alpha-amylase type B isozyme (Gene Name=AMY1.2)

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