Structure of PDB 8tb2 Chain A Binding Site BS01

Receptor Information
>8tb2 Chain A (length=259) Species: 196620 (Staphylococcus aureus subsp. aureus MW2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYFQGPITIQGKEHFEGYGSVDIQSNPEDLKVSEVTRFNNKSIGKNELTG
ALQLKNKVSFKNDFEFNIRVANNHQSVTTGADGWGFLFSKGDGNEYLQKG
GILGPKGMENSAGFKIDTGYNFKDPMDKEEKQAGQGFKGYGTFVKTGADG
TTAKVGTNIPTRGKADNSFQYADNSDTTDGKFHGQLLNNLKLAYNEKSGI
MRAEYAGKIWEANISDLGLDKSEAYNFLITSSQRQGTSVYANGWMRTDLN
NSTFKLTPN
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 chain8tb2 Chain A Residue 506 [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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PDB8tb2 Staphylococcus aureus skin colonization is mediated by SasG lectin variation.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		D276 G278 D286
Binding residue
(residue number reindexed from 1)		D117 G119 D127
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8tb2, PDBe:8tb2, PDBj:8tb2
PDBsum8tb2
PubMed38568806
UniProtQ8NUV0|PLS_STAAW Putative surface protein MW2416 (Gene Name=MW2416)

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