Structure of PDB 5i67 Chain A Binding Site BS02

Receptor Information
>5i67 Chain A (length=588) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDTAPTNHQGLLSWVEEVAELTQPDRVVFTDGSEEEFQRLCDQLVEAGT
FIRLNPEKHKNSYLALSDPSDVARVESRTYICSAKEIDAGPTNNWMDPGE
MRSIMKDLYRGCMRGRTMYVVPFCMGPLGAEDPKLGVEITDSEYVVVSMR
TMTRMGKAALEKMGDDGFFVKALHSVGAPLEPGQKDVAWPCSETKYITHF
PETREIWSYGSGYGGNALLGKKCYSLRIASAMAHDEGWLAEHMLILKLIS
PENKAYYFAAAFPSASGKTNLAMLQPTIPGWRAETLGDDIAWMRFGKDGL
YAVNPEFGFFGVAPGTNWKSNPNAMRTIAAGNTVFTNVALTDDGDVWWEG
LEGDPQHLIDWKGNDWYFRETETNAAHPNSRYCTPMSQCPILAPEWDDPQ
GVPISGILFGGRRKTTVPLVTEARDWQHGVFIGATLGSENVRRDPMAMLP
FLGYNVGDYFQHWINLGKHADESKLPKVFFVNWFRRGDDGRFLWPGFGEN
SRVLKWIVDRIEHKAGGATTPIGTVPAVEDLDLDGLDVDAADVAAALAVD
ADEWRQELPLIEEWLQFVGEKLPTGVKDEFDALKERLG
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 chain5i67 Chain A Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5i67 Crystal Structure Analysis of MTB PEPCK mutant C273S
Resolution2.602 Å
Binding residue
(original residue number in PDB)		H249 D296
Binding residue
(residue number reindexed from 1)		H242 D289
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R81 Y220 K229 H249 S271 S273 D296 R388
Catalytic site (residue number reindexed from 1) R74 Y213 K222 H242 S264 S266 D289 R381
Enzyme Commision number 4.1.1.32: phosphoenolpyruvate carboxykinase (GTP).
Gene Ontology
Molecular Function
GO:0004611 phosphoenolpyruvate carboxykinase activity
GO:0004613 phosphoenolpyruvate carboxykinase (GTP) activity
GO:0005525 GTP binding
GO:0016831 carboxy-lyase activity
GO:0017076 purine nucleotide binding
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
GO:0019543 propionate catabolic process
GO:0033993 response to lipid
GO:0042594 response to starvation
GO:0046327 glycerol biosynthetic process from pyruvate
GO:0071333 cellular response to glucose stimulus
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5i67, PDBe:5i67, PDBj:5i67
PDBsum5i67
PubMed
UniProtA5TYT6|PCKG_MYCTA Phosphoenolpyruvate carboxykinase [GTP] (Gene Name=pckG)

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