Structure of PDB 8ids Chain A Binding Site BS03

Receptor Information

>8ids Chain A (length=543) Species: 1409 (Bacillus sp. (in: firmicutes)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EKKWWKEAVAYQIYPRSFMDSNGDGIGDIQGVISKLDYLSDLGIDVIWIC
PIYQSPNDDNGYDISDYKDIMKDFGTMEDFDELLDEVHHRGMKLIMDLVI
NHTSDEHPWFLESRSAKENPYRDYYIWHEGKDGKEPNNWESIFSGSAWEF
DEKTKEYYMHVFSKKQPDLNWENEKVRHELYEMVNWWLDKGIDGFRVDAI
SHIKKVAGFPDLPNPEKLDYVPSFEGHMNRPGIQEHLKELKEKTFAKYDI
MTVGQAPGVTSDSADEWVAEDGGNFNMIFQFEHMGPLDLIELKTILTNWQ
NGLEKINGWNALYLENHDQIRSVNKFGSTAYRVESAKCLAALYFLMKGTP
FIYQGQELGMTNVKFDSIDDYDDVGMINYYRIQREKGDSHDEIMKVIWET
GRDNSRTPMQWNTEKNAGFSTGNPWMKVNPNYVDINVEEQKSDKNSVLNF
YKQLIKIRKQHDVLVYGTYKLLAEEDSAIYAYTRTLEGKTAVVICNMSPN
NQTFEFPFTNIEVLIHNYPLDKNETLEQCTLHPYETRVYLLSL

Ligand information

Ligand ID

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

Name

CALCIUM ION

PDB chain

8ids Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8ids Alteration of Substrate Specificity and Transglucosylation Activity of GH13_31 alpha-Glucosidase from Bacillus sp. AHU2216 through Site-Directed Mutagenesis of Asn258 on beta → alpha Loop 5.
Resolution	1.5 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 score	4

Enzymatic activity

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:8ids, PDBe:8ids, PDBj:8ids
PDBsum	8ids
PubMed	37049872
UniProt	A0A2Z5WH92

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