Structure of PDB 1ot1 Chain A Binding Site BS14

Receptor Information
>1ot1 Chain A (length=686) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGTCTNLRLYC
GGDWQGIINKINDGYLTGMGVTAIWISQPVENIYSIINYSGVNNTAYHGY
WARDFKKTNPAYGTIADFQNLIAAAHAKNIKVIIAFAPNHTSPASSDQPS
FAENGRLYDNGTLLGGYTNDTQNLFHHNGGTDFSTTENGIYKNLYDLADL
NHNNSTVDVYLKDAIKMWLDLGIDGIRMDAVKHMPFGWQKSFMAAVNNYK
PVFTFGEWFLGVNEVSPENHKFANESGMSLLDFRFAQKVRQVFRDNTDNM
YGLKAMLEGSAADYAQVDDQVTFIDNHDMERFHASNANRRKLEQALAFTL
TSRGVPAIYYGTEQYMSGGTDPDNRARIPSFSTSTTAYQVIQKLAPLRKS
NPAIAYGSTQERWINNDVLIYERKFGSNVAVVAVNRNLNAPASISGLVTS
LPQGSYNDVLGGLLNGNTLSVGSGGAASNFTLAAGGTAVWQYTAATATPT
IGHVGPMMAKPGVTITIDGRGFGSSKGTVYFGTTAVSGADITSWEDTQIK
VKIPAVAGGNYNIKVANAAGTASNVYDNFEVLSGDQVSVRFVVNNATTAL
GQNVYLTGSVSELGNWDPAKAIGPMYNQVVYQYPNWYYDVSVPAGKTIEF
KFLKKQGSTVTWEGGSNHTFTAPSSGTATINVNWQP
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 chain1ot1 Chain A Residue 1694 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ot1 The fully conserved Asp residue in Conserved sequence region I of the alpha-amylase Family is crucial for the Catalytic Site Architecture and Activity
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A315 D577
Binding residue
(residue number reindexed from 1)		A315 D577
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A135 R227 D229 E257 H327 D328
Catalytic site (residue number reindexed from 1) A135 R227 D229 E257 H327 D328
Enzyme Commision number 2.4.1.19: cyclomaltodextrin glucanotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016757 glycosyltransferase activity
GO:0030246 carbohydrate binding
GO:0043169 cation binding
GO:0043895 cyclomaltodextrin glucanotransferase activity
GO:0046872 metal ion binding
GO:2001070 starch binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ot1, PDBe:1ot1, PDBj:1ot1
PDBsum1ot1
PubMed12706817
UniProtP43379|CDGT2_NIACI Cyclomaltodextrin glucanotransferase (Gene Name=cgt)

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