Structure of PDB 8uf5 Chain B Binding Site BS01

Receptor Information
>8uf5 Chain B (length=831) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTTRLYKKYNQVYDRSAQSFEHVDHYLTAESWYRPKYILKDTWTTEKDFR
PLLMTWWPSQETQRQYVNYMNAQLGINKTYDDTSNQLQLNIAAATIQAKI
EAKITTLKNTDWLRQTISAFVKTQSAWNSDSEKPFDDHLQNGAVLYDNEG
KLTPYANSNYRILNRTPTNQTGKKDPRYTADNTIGGYEFLLANDVDNSNP
VVQAEQLNWLHFLMNFGNIYANDPDANFDSIRVDAVDNVDADLLQIAGDY
LKAAKGIHKNDKAANDHLSILEAWSDNDTPYLHDDGDNMINMDNKLRLSL
LFSLAKPLNQRSGMNPLITNSLVNRTDDNAETAAVPSYSFIRAHDSEVQD
LIRDIIKAEINPNVVGYSFTMEEIKKAFEIYNKDLLATEKKYTHYNTALS
YALLLTNKSSVPRVYYGDMFTDDGQYMAHKTINYEAIETLLKARIKYVSG
GQAMRNQQVGNSEIITSVRYGKGALKATDTGDRTTRTSGVAVIEGNNPSL
RLKASDRVVVNMGAAHKNQAYRPLLLTTDNGIKAYHSDQEAAGLVRYTND
RGELIFTAADIKGYANPQVSGYLGVWVPVGAAADQDVRVAASTAPSTDGK
SVHQNAALDSRVMFEGFSNFQAFATKKEEYTNVVIAKNVDKFAEWGVTDF
EMAPQYVSSTDGSFLDSVIQNGYAFTDRYDLGISKPNKYGTADDLVKAIK
ALHSKGIKVMADWVPDQMYAFPEKEVVTATRVDKFGKPVEGSQIKSVLYV
ADSKSSGKDQQAKYGGAFLEELQAKYPELFARKQISTGVPMDPSVKIKQW
SAKYFNGTNILGRGAGYVLKDQATNTYFNIS
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 chain8uf5 Chain B Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8uf5 Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E405 D411 N455 D933
Binding residue
(residue number reindexed from 1)		E188 D194 N238 D716
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.5: dextransucrase.
Gene Ontology
Molecular Function
GO:0046527 glucosyltransferase activity
Biological Process
GO:0009250 glucan biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8uf5, PDBe:8uf5, PDBj:8uf5
PDBsum8uf5
PubMed28729722
UniProtP08987|GTFB_STRMU Glucosyltransferase-I (Gene Name=gtfB)

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