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Structure of PDB 6vt2 Chain E Binding Site BS05

Receptor Information
>6vt2 Chain E (length=409) Species: 888807 (Streptococcus sanguinis SK1 = NCTC 7863) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDTTPPTITLPQEVIAYRGEEFEFFVETTDDSGRVNRVIVRNIEGADNST
YLDPNWIRYSTDNLSVPGNATPANPLRTRVYGIVPINHGVGPGDRYTKYV
RAEDAAGNITALVDKQSERFVLVIRPQTEKYTPQVPTLTYVQNANSLTQT
DKDAVIAAVKSANPNLPATSTYSVSENGTVTITYPDGSTDTIAAAQTVDT
DRVAPVFVDEGRDYIFYRGEEGTAELHFYDNSGKITNVNFAGDLAASSTY
NTLLGLGFTFNTPNINNPNNATEQNPLVTTIRGTIPKSLPAGPGGKYTFK
VRATDASGLTSEAKIFRIVFANQTDKYTPNNPGSLTGVLNPQQLSTSEKT
AIEEKVRAANTGNLPNNVQYVVNNDGSVTVIYPDDTPASRSRDTITADRT
VQDLRPRNS
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 chain6vt2 Chain E Residue 1403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vt2 Tandem sialoglycan-binding modules in a Streptococcus sanguinis serine-rich repeat adhesin create target dependent avidity effects.
Resolution1.52 Å
Binding residue
(original residue number in PDB)
D452 V454 D481 N482 D556
Binding residue
(residue number reindexed from 1)
D201 V203 D230 N231 D305
Annotation score4
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