Structure of PDB 8im8 Chain A Binding Site BS02

Receptor Information
>8im8 Chain A (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 A Residue 702 [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)		N314 L397 D406 H464
Binding residue
(residue number reindexed from 1)		N195 L278 D287 H345
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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