Structure of PDB 4f24 Chain A Binding Site BS02

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 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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PDB4f24 Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB
Resolution2.509 Å
Binding residue
(original residue number in PDB)		N370 N508 I509 D516 S518
Binding residue
(residue number reindexed from 1)		N170 N308 I309 D316 S318
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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