Structure of PDB 6gau Chain B Binding Site BS02

Receptor Information
>6gau Chain B (length=1068) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IGSTGERGLHHLIWEVVDNAVDEAMAGYATTVNVVLLEDGGVEVADDGRG
IPVATHASGIPTVDVVMTQLGVSVVNALSTRLEVEIKRDGYEWSQVYEKS
EPLGLKQGAPTKKTGSTVRFWADPAVFETTEYDFETVARRLQEMAFLNKG
LTINLTDERVTQDEVVDEVVSDVAEAPVKSRTFHYPGGLVDFVKHINRTK
NAIHSSIVDFSGKGTGHEVEIAMQWNAGYSESVHTFANTINTHEGGTHEE
GFRSALTSVVNKYAKDRGDDIREGLAAVISVKVSEPQFEGQTKTKLGNTE
VKSFVQKVCNEQLTHWFEANPTDAKVVVNKAVSSAQARIAARKSATDIGG
LPGKLADCRSTDPRKSELYVVEGDSAGGSAKSGRDSMFQAILPLRGKIIN
VEKARIDRVLKNTEVQAIITALGTGIHDEFDIGKLRYHKIVLMADADVDG
QHISTLLLTLLFRFMRPLIENGHVFLAQPPLYKLKWQRSDPEFAYSDRER
DGLLEAGLKAGKKINKEDGIQRYKGLGEMDAKELWETTMDPSVRVLRQVT
LDDAAAADELFSILMGEDVDARRSFITRNAKDIEPVDIEQEMQRSYIDYA
MSVIVGRALPEVRDGLKPVHRRVLYAMFDSGFRPDRSHAKSARSVAETMG
NYHPHGDASIYDSLVRMAQPWSLRYPLVDGQGNFGSPGNDPPAAMRYTEA
RLTPLAMEMLREIDEETVDFIPNYDGRVQEPTVLPSRFPNLLANGSGGIA
VGMATNIPPHNLRELADAVFWALENHDADEEETLAAVMGRVKGPDFPTAG
LIVGSQGTADAYKTGRGSIRMRGVVEVEEDSRGRTSLVITELPYQVNHDN
FITSIAEQVRDGKLAGISNIEDQSSDRVGLRIVIEIKRDAVAKVVINNLY
KHTQLQTSFGANMLAIVDGVPRTLRLDQLIRYYVDHQLDVIVRRTTYRLR
KANERAHILRGLVKALDALDEVIALIRASETVDIARAGLIELLDIDEIQA
QAILDMQLRRLAALERQRIIDDLAKIEAEIADLEDILAKPERQRGIVRDE
LAEIVDRHGDDRRTRIIA
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 chain6gau Chain B Residue 1602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6gau Overall Structures of Mycobacterium tuberculosis DNA Gyrase Reveal the Role of a Corynebacteriales GyrB-Specific Insert in ATPase Activity.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		E48 N52
Binding residue
(residue number reindexed from 1)		E15 N19
Annotation score4
Enzymatic activity
Enzyme Commision number 5.6.2.2: DNA topoisomerase (ATP-hydrolyzing).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003677 DNA binding
GO:0003916 DNA topoisomerase activity
GO:0003918 DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0034335 DNA negative supercoiling activity
GO:0046872 metal ion binding
Biological Process
GO:0006259 DNA metabolic process
GO:0006261 DNA-templated DNA replication
GO:0006265 DNA topological change
GO:0046677 response to antibiotic
Cellular Component
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6gau, PDBe:6gau, PDBj:6gau
PDBsum6gau
PubMed30744994
UniProtP9WG45|GYRB_MYCTU DNA gyrase subunit B (Gene Name=gyrB);
P9WG47|GYRA_MYCTU DNA gyrase subunit A (Gene Name=gyrA)

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