Structure of PDB 4b60 Chain B Binding Site BS02

Receptor Information
>4b60 Chain B (length=293) Species: 93061 (Staphylococcus aureus subsp. aureus NCTC 8325) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDVTSKVTVEIGSIEGHNNTNKVEPHAGQRAVLKYKLKFENGLHQGDYFD
FTLSNNVNTHGVSTARKVPEIKNGSVVMATGEVLEGGKIRYTFTNDIEDK
VDVTAELEINLFIDPKTVQTNGNQTITSTLNEEQTSKELDVKYKDGIGNY
YANLNGSIETFNKANNRFSHVAFIKPNNGKTTSVTVTGTLMKGSNQNGNQ
PKVRIFEYLGNNEDIAKSVYANTTDTSKFKEVTSNMNLNLQNNGSYSLNI
ENLDKTYVVHYDGEYLNGTDVDFRTQMVGHPYTLTWDNGLVLY
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 chain4b60 Chain B Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b60 Evidence for Steric Regulation of Fibrinogen Binding to Staphylococcus Aureus Fibronectin-Binding Protein a (Fnbpa).
Resolution1.83 Å
Binding residue
(original residue number in PDB)		E292 D293
Binding residue
(residue number reindexed from 1)		E98 D99
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:4b60, PDBe:4b60, PDBj:4b60
PDBsum4b60
PubMed24627488
UniProtP14738|FNBA_STAA8 Fibronectin-binding protein A (Gene Name=fnbA)

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