Structure of PDB 1bag Chain A Binding Site BS06

Receptor Information

>1bag Chain A (length=425) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LTAPSIKSGTILHAWNWSFNTLKHNMKDIHDAGYTAIQTSPINQVKEGNQ
GDKSMSNWYWLYQPTSYQIGNRYLGTEQEFKEMCAAAEEYGIKVIVDAVI
NHTTFDYAAISNEVKSIPNWTHGNTQIKNWSDRWDVTQNSLLGLYDWNTQ
NTQVQSYLKRFLERALNDGADGFRFDAAKHIELPDDGSYGSQFWPNITNT
SAEFQYGQILQDSASRDAAYANYMDVTASNYGHSIRSALKNRNLGVSNIS
HYASDVSADKLVTWVESHDTYANDDEESTWMSDDDIRLGWAVIASRSGST
PLFFSRPEGGGNGVRFPGKSQIGDRGSALFEDQAITAVNRFHNVMAGQPE
ELSNPNGNNQIFMNQRGSHGVVLANAGSSSVSINTATKLPDGRYDNKAGA
GSFQVNDGKLTGTINARSVAVLYPD

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

1bag Chain A Residue 431 [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	1bag Crystal structure of a catalytic-site mutant alpha-amylase from Bacillus subtilis complexed with maltopentaose.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	N101 T137 D146 H180
Binding residue (residue number reindexed from 1)	N101 T137 D146 H180
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.2.1.1: alpha-amylase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0004556	alpha-amylase activity
GO:0043169	cation binding

	Biological Process
GO:0005975	carbohydrate metabolic process

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Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:1bag, PDBe:1bag, PDBj:1bag
PDBsum	1bag
PubMed	9514750
UniProt	P00691\|AMY_BACSU Alpha-amylase (Gene Name=amyE)

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