Structure of PDB 8im8 Chain B Binding Site BS01

Receptor Information
>8im8 Chain B (length=557) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ECPKWDGLPLTVDVSATFPEGAAVRDYYSQQIAIVKNGQIMLQPAATSNG
LLLLERAETDTSAPFDWHNATVYFVLTDRFENGDPSNDQSYGRHKDGMAE
IGTFHGGDLRGLTNKLDYLQQLGVNALWISAPFEQIHGWVGGGTKGDFPH
YAYHGYYTQDWTNLDANMGNEADLRTLVDSAHQRGIRILFDVVMNHTGYA
TLADMQEYQFGALYLSGDEVKKSLGERWSDWKPAAGQTWHSFNDYINFSD
KTGWDKWWGKNWIRTDIGDYDNPGFDDLTMSLAFLPDIKTESTTASGLPV
FYKNKMDTHAKAIDGYTPRDYLTHWLSQWVRDYGIDGFRVDTAKHVELPA
WQQLKTEASAALREWKKANPDKALDDKPFWMTGEAWGHGVMQSDYYRHGF
DAMINFDYQEQAAKAVDCLAQMDTTWQQMAEKLQGFNVLSYLSSHDTRLF
REGGDKAAELLLLAPGAVQIFYGDESSRPFGPTGSDPLQGTRSDMNWQDV
SGKSAASVAHWQKISQFRARHPAIGAGKQTTLLLKQGYGFVREHGDDKVL
VVWAGQQ
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 chain8im8 Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8im8 The Distinctive Permutated Domain Structure of Periplasmic alpha-Amylase (MalS) from Glycoside Hydrolase Family 13 Subfamily 19.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		N201 D203 N206 D207 G225 D227
Binding residue
(residue number reindexed from 1)		N82 D84 N87 D88 G106 D108
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0005509 calcium ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009313 oligosaccharide catabolic process
GO:0030980 alpha-glucan catabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8im8, PDBe:8im8, PDBj:8im8
PDBsum8im8
PubMed37241718
UniProtP25718|AMY1_ECOLI Periplasmic alpha-amylase (Gene Name=malS)

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