Structure of PDB 4bwr Chain A Binding Site BS01

Receptor Information
>4bwr Chain A (length=467) Species: 199310 (Escherichia coli CFT073) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVNLEQLKQKAESGEAKAQLELGYRYFQGNETTKDLTQAMDWFRRAAEQG
YTPAEYVLGLRYMNGEGVPQDYAQAVIWYKKAALKGLPQAQQNLGVMYHE
GNGVKVDKAESVKWFRLAAEQGRDSGQQSMGDAYFEGDGVTRDYVMAREW
YSKAAEQGNVWSCNQLGYMYSRGLGVERNDAISAQWYRKSATSGDELGQL
HLADMYYFGIGVTQDYTQSRVLFSQSAEQGNSIAQFRLGYILEQGLAGAK
EPLKALEWYRKSAEQGNSDGQYYLAHLYDKGAEGVAKNREQAISWYTKSA
EQGDATAQANLGAIYFRLGSEEEHKKAVEWFRKAAAKGEKAAQFNLGNAL
LQGKGVKKDEQQAAIWMRKAAEQGLSAAQVQLGEIYYYGLGVERDYVQAW
AWFDTASTNDMNLFGTENRNITEKKLTAKQLQQAELLSQQYIEKYAPEAW
ARMQKLKAQSAVKTGNK
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 chain4bwr Chain A Residue 1468 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bwr Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying an Slr Fold.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		H99 E136 D138
Binding residue
(residue number reindexed from 1)		H99 E136 D138
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0019862 IgA binding
GO:0046872 metal ion binding
Biological Process
GO:0050777 negative regulation of immune response
GO:1902564 negative regulation of neutrophil activation
Cellular Component
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4bwr, PDBe:4bwr, PDBj:4bwr
PDBsum4bwr
PubMed24099525
UniProtA0A0H2VDN9|ESIB_ECOL6 Secretory immunoglobulin A-binding protein EsiB (Gene Name=esiB)

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