Structure of PDB 3au0 Chain A Binding Site BS02

Receptor Information
>3au0 Chain A (length=339) Species: 158879 (Staphylococcus aureus subsp. aureus N315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVVNVADAKGTNVNDKVTASNFKLEKTTFDPNQSGNTFMAANFTVTDKVK
SGDYFTAKLPDSLTGNGDVDYSNSNNTMPIADIKSTNGDVVAKATYDILT
KTYTFVFTDYVNNKENINGQFSLPLFTDRAKAPKSGTYDANINIADEMFN
NKITYNYSSPIAGIDKPNGANISSQIIGVDTASGQNTYKQTVFVNPKQRV
LGNTWVYIKGYQDKIEESSGKVSATDTKLRIFEVNDTSKLSESYYADPND
SNLKEVTDQFKNRIYYEHPNVASIKFGDITKTYVVLVEGHYDNTGKNLKT
QVIQENVDPVTNRDYSIFGWNNENVVRYGGGSADGDSAV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3au0 Chain A Residue 801 [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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PDB3au0 Structural and biochemical characterization of ClfB:ligand interactions
Resolution2.45 Å
Binding residue
(original residue number in PDB)		Q400 T482
Binding residue
(residue number reindexed from 1)		Q198 T280
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005618 cell wall

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Biological Process
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Cellular Component
External links
PDB RCSB:3au0, PDBe:3au0, PDBj:3au0
PDBsum3au0
PubMed
UniProtQ7A382|CLFB_STAAN Clumping factor B (Gene Name=clfB)

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