Structure of PDB 4f24 Chain A Binding Site BS03

Receptor Information
>4f24 Chain A (length=334) Species: 282458 (Staphylococcus aureus subsp. aureus MRSA252) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEPVVNAADAKGTNVNDKVTASDFKLEKTAFDPNQSGNTFMAANFKVTGQ
VKSGDYFTAKLPDSVTGNGDVDYSNSNNTMPIADIKSTNGDVVAKATYDI
LTKTYTFVFTDYVNDKENINGQFSLPLFTDRAKAPKSGTYDANINIADEM
FDNKITYNYSSPIAGIDKPNGANISSQIIGVDTASGQNTYKQTVFVNPKQ
RVLGNTWVYIKGYQDKIEESSGKVSATDTKLRIFEVNDTSKLSDSYYADP
NDSNLKEVTGEFKDKISYKYDNVASINFGDINKTYVVLVEGHYDNTGKNL
KTQVIQENIDPATGKDYSIFGWNNENVVRYGGGS
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 chain4f24 Chain A Residue 603 [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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PDB4f24 Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB
Resolution2.509 Å
Binding residue
(original residue number in PDB)		Y468 Y470 D471
Binding residue
(residue number reindexed from 1)		Y268 Y270 D271
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:4f24, PDBe:4f24, PDBj:4f24
PDBsum4f24
PubMed22719251
UniProtQ6GDH2|CLFB_STAAR Clumping factor B (Gene Name=clfB)

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