Structure of PDB 1v3j Chain B Binding Site BS01

Receptor Information
>1v3j Chain B (length=686) Species: 1410 (Bacillus sp. 1011) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGSCTNLRLYC
GGDWQGIINKINDGYLTGMGITAIWISQPVENIYSVINYSGVNNTAYHGY
WARDFKKTNPAYGTMQDFKNLIDTAHAHNIKVIIDFAPNHTSPASSDDPS
FAENGRLYDNGNLLGGYTNDTQNLFHHYGGTDFSTIENGIYKNLYDLADL
NHNNSSVDVYLKDAIKMWLDLGVDGIRVDAVKHMPFGWQKSFMATINNYK
PVFTFGEWFLGVNEISPEYHQFANESGMSLLDLRFAQKARQVFRDNTDNM
YGLKAMLEGSEVDYAQVNDQVTFIDNHDMERFHTSNGDRRKLEQALAFTL
TSRGVPAIYYGSEQYMSGGNDPDNRARLPSFSTTTTAYQVIQKLAPLRKS
NPAIAYGSTHERWINNDVIIYERKFGNNVAVVAINRNMNTPASITGLVTS
LPRGSYNDVLGGILNGNTLTVGAGGAASNFTLAPGGTAVWQYTTDATTPI
IGNVGPMMAKPGVTITIDGRGFGSGKGTVYFGTTAVTGADIVAWEDTQIQ
VKIPAVPGGIYDIRVANAAGAASNIYDNFEVLTGDQVTVRFVINNATTAL
GQNVFLTGNVSELGNWDPNNAIGPMYNQVVYQYPTWYYDVSVPAGQTIEF
KFLKKQGSTVTWEGGANRTFTTPTSGTATVNVNWQP
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 chain1v3j Chain B Residue 689 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1v3j Role of Phe283 in enzymatic reaction of cyclodextrin glycosyltransferase from alkalophilic Bacillus sp.1011: Substrate binding and arrangement of the catalytic site
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D27 N29 N32 N33 G51 D53
Binding residue
(residue number reindexed from 1)		D27 N29 N32 N33 G51 D53
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D135 R227 D229 E257 H327 D328
Catalytic site (residue number reindexed from 1) D135 R227 D229 E257 H327 D328
Enzyme Commision number 2.4.1.19: cyclomaltodextrin glucanotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase 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:1v3j, PDBe:1v3j, PDBj:1v3j
PDBsum1v3j
PubMed14739329
UniProtP05618|CDGT_BACS0 Cyclomaltodextrin glucanotransferase (Gene Name=cgt)

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