Structure of PDB 6k5l Chain B Binding Site BS03

Receptor Information
>6k5l Chain B (length=555) Species: 1045010 (Escherichia coli O157) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLELLIAQTILQGFDAQYGRFLEVTSGAQQRFEQADWHAVQQAMKNRIHL
YDHHVGLVVEQLRCITDAEFLLRVKEHYTRLLPDYPRFEIAESFFNSVYC
RLFDHRSLTPERLFIFSSQPERRFRTIPRPLAKDFHPDHGWESLLMRVIS
DLPLRLHWQNKSRDIHYIIRHLTETLGPENLSKSHLQVANELFYRNKAAW
LVGKLITPSGTLPFLLPIHQTDDGELFIDTCLTTTAEASIVFGFARSYFM
VYAPLPAALVEWLREILPGKTTAELYMAIGCQKHAKTESYREYLVYLQGC
NEQFIEAPGIRGMVMLVFTLPGFDRVFKVIKDKFAPQKEMSAAHVRACYQ
LVKEHDRVGRMADTQEFENFVLEKRHISPALMELLLQEAAEKITDLGEQI
VIRHLYIERRMVPLNIWLEQVEGQQLRDAIEEYGNAIRQLAAANIFPGDM
LFKNFGVTRHGRVVFYDYDEICYMTEVNFRDIPPPWYSVSPGDVFPEEFR
HWLCADPRIGPLFEEMHADLFRADYWRALQNRIREGHVEDVYAYRRRQRF
SVRYG
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 chain6k5l Chain B Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k5l Characterization of metal binding of bifunctional kinase/phosphatase AceK and implication in activity modulation.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		N462 D475
Binding residue
(residue number reindexed from 1)		N454 D467
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.5: [isocitrate dehydrogenase (NADP(+))] kinase.
3.1.3.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004674 protein serine/threonine kinase activity
GO:0004721 phosphoprotein phosphatase activity
GO:0004722 protein serine/threonine phosphatase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008772 [isocitrate dehydrogenase (NADP+)] kinase activity
GO:0016208 AMP binding
GO:0016788 hydrolase activity, acting on ester bonds
GO:0016791 phosphatase activity
GO:0030145 manganese ion binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6k5l, PDBe:6k5l, PDBj:6k5l
PDBsum6k5l
PubMed31235769
UniProtP11071|ACEK_ECOLI Isocitrate dehydrogenase kinase/phosphatase (Gene Name=aceK)

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