Structure of PDB 5jm8 Chain H Binding Site BS02

Receptor Information
>5jm8 Chain H (length=550) Species: 72407 (Klebsiella pneumoniae subsp. pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLDVAAQCFLNSLVRETKDWRLTEYQPTQLIIPLGEQQALHFRVAYFSPT
QHHRFEFPARLVTASGSHPVDFATLSRLIVDKLQHQLLLPATSCETFHQR
VMESHAHTQQAIDARHDWAALREKALNFGEAEQALLVGHAFHPAPKSHEP
FNQQEAERYLPDFAPHFPLRWFAVNKTQIAGESLHLNLQQRLTRFAAENA
PQLLNELSDNQWLFPLHPWQGEYLLQQEWCQELVAKGLIKDLGEAGAPWL
PTTSSRSLYCATSRDMIKFSLSVRLTNSVRTLSVKEVKRGMRLARLAQTD
DWQTLQARFPTFRVMQEDGWAGLRDLHGNIMQESLFALRENLLVDQPQSQ
TNVLVSLTQAAPDGGDSLLVAAVKRLSDRLGITAQQAAHAWVDAYCHQVL
KPLFTAEADYGLVLLAHQQNILVQMLGDLPVGLIYRDCQGSAFMPHAAGW
LDTIGEAQAENVFTREQLLRYFPYYLLVNSTFAVTAALGAAGLDSEANLM
ARVRTLLAEMRDQVTHKTCLNYVLENPYWNVKGNFFCYLNDYFDFANPLL
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 chain5jm8 Chain H Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jm8 Structural and Functional Characterization of Aerobactin Synthetase IucA from a Hypervirulent Pathotype of Klebsiella pneumoniae.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H425 Q427 N428 D445
Binding residue
(residue number reindexed from 1)		H417 Q419 N420 D437
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0019290 siderophore biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5jm8, PDBe:5jm8, PDBj:5jm8
PDBsum5jm8
PubMed27253399
UniProtA0A1A9TA96

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