Structure of PDB 2ze0 Chain A Binding Site BS01

Receptor Information
>2ze0 Chain A (length=531) Species: 258999 (Geobacillus sp. HTA-462) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKTWWKEGVAYQIYPRSFMDANGDGIGDLRGIIEKLDYLVELGVDIVWIC
PIYRSPNADNGYDISDYYAIMDEFGTMDDFDELLAQAHRRGLKVILDLVI
NHTSDEHPWFIESRSSRDNPKRDWYIWRDGKDGREPNNWESIFGGSAWQY
DERTGQYYLHIFDVKQPDLNWENSEVRQALYEMVNWWLDKGIDGFRIDAI
SHIKKKPGLPDLPLKYVPSFAGHMNQPGIMEYLRELKEQTFARYDIMTVG
EANGVTVDEAEQWVGEENGVFNMIFQFEHLGLWERRASIDVRRLKRTLTK
WQKGLENRGWNALFLENHDLPRSVSTWGNDRDYWAESAKALGALYFFMQG
TPFIYQGQEIGMTNVRFDDIRDYRDVSALRIIWKTGRDNSRTPMQWSGAS
NAGFTTGTPWIKVNENYRTINVEAERRDPNSVWSFYRQMIQLRKANELFV
YGTYDLLLENHPSIYAYTRTLGRDRALVVVNLSDRPSLYRYDGFRLQSSD
LALSNYPVRPHKNATRFKLKPYEARVYIWKE
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 chain2ze0 Chain A Residue 552 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ze0 Crystal structure of GH13 alpha-glucosidase GSJ from one of the deepest sea bacteria
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D21 N23 D25 I27 D29
Binding residue
(residue number reindexed from 1)		D20 N22 D24 I26 D28
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D98 R197 D199 E256 H325 D326
Catalytic site (residue number reindexed from 1) D97 R196 D198 E251 H318 D319
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
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:0009313 oligosaccharide catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2ze0, PDBe:2ze0, PDBj:2ze0
PDBsum2ze0
PubMed18398906
UniProtQ33E90

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