Structure of PDB 6waa Chain F Binding Site BS03

Receptor Information
>6waa Chain F (length=707) Species: 507522 (Klebsiella pneumoniae 342) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLADCTAQDLNRTELFLVEGDSAGGSAKQARDREYQAIMPLKGKILNTW
EVSSDEVLASQEVHDISVAIGIDPDSDDLSQLRYGKICILADADSDGLHI
ATLLCALFVRHFRTLVKEGHVYVALPPLYRIDLGKEVYYALTEEEKTGVL
EQLKRKKGKPNVQRFKGLGEMNPMQLRETTLDPNTRRLVQLVISDEDEQQ
TTAIMDMLLAKKRSEDRRNWLQEKGDMAERLALHEFTENAYLNYSMYVIM
DRALPFIGDGLKPVQRRIVYAMSELGLNASAKFKKSARTVGDVLGKYHPH
GDSACYEAMVLMAQPFSYRYPLVDGQGNWGAPDDPKSFAAMRYTESRLSK
YAELLLSELGQGTVDWVPNFDGTLQEPKMLPARLPNILLNGTTGIAVGMA
TDIPPHNLREVAKAAITLIEQPKTTLDELLDIVQGPDFPTEAEIITSRAE
IRKIYQNGRGSVRMRAVWSKEDGAVVITALPHQVSGAKVLEQIAAQMRNK
KLPMVDDLRDESDHENPTRLVIVPRSNRVDMEQVMNHLFATTDLEKSYRI
NLNMIGLDGRPAVKNLLEILSEWLVFRRDTVRRRLNHRLEKVLKRLHILE
GLLVAFLNIDEVIEIIRTEDEPKPALMSRFGISETQAEAILELKLRHLAK
LEEMKIRGEQSELEKERDQLQAILASERKMNNLLKKELQADADAFGDDRR
SPLHERE
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 chain6waa Chain F Residue 1503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6waa Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D491 D493
Binding residue
(residue number reindexed from 1)		D92 D94
Annotation score4
Enzymatic activity
Enzyme Commision number 5.6.2.2: DNA topoisomerase (ATP-hydrolyzing).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003918 DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
GO:0005524 ATP binding
Biological Process
GO:0006259 DNA metabolic process
GO:0006265 DNA topological change
Cellular Component
GO:0005694 chromosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6waa, PDBe:6waa, PDBj:6waa
PDBsum6waa
PubMed32634310
UniProtB5XU60

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