Structure of PDB 4f20 Chain A Binding Site BS02

Receptor Information
>4f20 Chain A (length=331) Species: 282458 (Staphylococcus aureus subsp. aureus MRSA252) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKGTNVNDKVTASDFKLEKTAFDPNQSGNTFMAANFKVTGQVKSGDYFTA
KLPDSVTGNGDVDYSNSNNTMPIADIKSTNGDVVAKATYDILTKTYTFVF
TDYVNDKENINGQFSLPLFTDRAKAPKSGTYDANINIADEMFDNKITYNY
SSPIAGIDKPNGANISSQIIGVDTASGQNTYKQTVFVNPKQRVLGNTWVY
IKGYQDKIEESSGKVSATDTKLRIFEVNDTSKLSDSYYADPNDSNLKEVT
GEFKDKISYKYDNVASINFGDINKTYVVLVEGHYDNTGKNLKTQVIQENI
DPATGKDYSIFGWNNENVVRYGGGSADGDSA
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 chain4f20 Chain A Residue 602 [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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PDB4f20 Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB
Resolution2.502 Å
Binding residue
(original residue number in PDB)		Y470 D471
Binding residue
(residue number reindexed from 1)		Y261 D262
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:4f20, PDBe:4f20, PDBj:4f20
PDBsum4f20
PubMed22719251
UniProtQ6GDH2|CLFB_STAAR Clumping factor B (Gene Name=clfB)

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