Structure of PDB 1ava Chain A Binding Site BS03
Receptor Information
>1ava Chain A (length=403) Species:
4513
(Hordeum vulgare) [
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QVLFQGFNWESWKHNGGWYNFLMGKVDDIAAAGITHVWLPPASQSVAEQG
YMPGRLYDLDASKYGNKAQLKSLIGALHGKGVKAIADIVINHRTAEHKDG
RGIYCIFEGGTPDARLDWGPHMICRDDRPYADGTGNPDTGADFGAAPDID
HLNLRVQKELVEWLNWLKADIGFDGWRFDFAKGYSADVAKIYIDRSEPSF
AVAEIWTSLAYGGDGKPNLNQDQHRQELVNWVDKVGGKGPATTFDFTTKG
ILNVAVEGELWRLRGTDGKAPGMIGWWPAKAVTFVDNHDTGSTQHMWPFP
SDRVMQGYAYILTHPGTPCIFYDHFFDWGLKEEIDRLVSVRTRHGIHNES
KLQIIEADADLYLAEIDGKVIVKLGPRYDVGNLIPGGFKVAAHGNDYAVW
EKI
Ligand information
Ligand ID
CA
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
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
1ava Chain A Residue 502 [
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Receptor-Ligand Complex Structure
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PDB
1ava
Barley alpha-amylase bound to its endogenous protein inhibitor BASI: crystal structure of the complex at 1.9 A resolution.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
D127 D142 F143 A146 P147 D148
Binding residue
(residue number reindexed from 1)
D127 D142 F143 A146 P147 D148
Annotation score
4
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:1ava
,
PDBe:1ava
,
PDBj:1ava
PDBsum
1ava
PubMed
9634702
UniProt
P04063
|AMY2_HORVU Alpha-amylase type B isozyme (Gene Name=AMY1.2)
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