Structure of PDB 5ij3 Chain B Binding Site BS01

Receptor Information
>5ij3 Chain B (length=193) Species: 388919 (Streptococcus sanguinis SK36) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDTTPPTITVPSDIIAYRGEEFEFYFEITDDSGQVKNIELSTFGKPLGLN
WLEYSEDNFNVPGNATSDNPLRVRVHGTVPLNEPIPADKNRAQFTRTIRA
WDAAGNVSSNITFVIKYRAQTDKYNPADPTITYVDRLSSLSPSEKNAVEA
AVRAANPQIPAAARITVSANGTVTITYPDSSTDTITANRVVKD
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 chain5ij3 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ij3 Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Resolution1.7 Å
Binding residue
(original residue number in PDB)
D253 T255 D281 D282 D353
Binding residue
(residue number reindexed from 1)
D2 T4 D30 D31 D102
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links