Structure of PDB 6aci Chain A Binding Site BS02

Receptor Information
>6aci Chain A (length=304) Species: 574521 (Escherichia coli O127:H6 str. E2348/69) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPSFAGKEYSLEPIDERTPILFQWFEARPERYEKGEVPILNTKEHPYLSN
IINAAKIENERIIGVLVDGNFTYEQKKEFLNLENEHQNIAIIYRADVDFS
MYDKKLSDIYLENIHKQESYPASERDNYLLGLLREELKNIPEGKDSLIES
YAEKREHTWFDFFRNLAILKAGSLFTETGKTGCHNISPCSGCIYLDADMI
ITDKLGVLYAPDGIAVHVDCNDEIKSLENGAIVVNRSNHPALLAGLDIMK
SKVDAHPYYDGLGKGIKRHFNYSSLHNYNAFCDFIEFKHENIIPNTSMYT
SSSW
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6aci Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6aci Structural and Functional Insights into Host Death Domains Inactivation by the Bacterial Arginine GlcNAcyltransferase Effector.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		D223 N320 S322
Binding residue
(residue number reindexed from 1)		D198 N295 S297
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
GO:0106362 protein-arginine N-acetylglucosaminyltransferase activity
Biological Process
GO:0034054 symbiont-mediated suppression of host defense-related programmed cell death
GO:0085034 symbiont-mediated suppression of host NF-kappaB cascade
Cellular Component
GO:0005576 extracellular region
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6aci, PDBe:6aci, PDBj:6aci
PDBsum6aci
PubMed30979585
UniProtB7UI21|NLEB1_ECO27 Protein-arginine N-acetylglucosaminyltransferase NleB1 (Gene Name=nleB1)

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