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TargetDNA Topoisomerase IV
LigandBDBM24611
Substrate/CompetitorBDBM2
Meas. Tech.DNA Gyrase ATPase Assay
Ki 23±n/a nM
Citation Charifson, PSGrillot, ALGrossman, THParsons, JDBadia, MBellon, SDeininger, DDDrumm, JEGross, CHLeTiran, ALiao, YMani, NNicolau, DPPerola, ERonkin, SShannon, DSwenson, LLTang, QTessier, PRTian, SKTrudeau, MWang, TWei, YZhang, HStamos, D Novel dual-targeting benzimidazole urea inhibitors of DNA gyrase and topoisomerase IV possessing potent antibacterial activity: intelligent design and evolution through the judicious use of structure-guided design and structure-activity relationships. J Med Chem51:5243-63 (2008) [PubMed]  Article
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DNA Topoisomerase IV
Name:DNA Topoisomerase IV
Synonyms:n/a
Type:C2E2 tetramer
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:DNA Topoisomerase IV Subunit A
Synonyms:DNA topoisomerase 4 subunit A (parC)
Type:Enzyme Subunit
Mol. Mass.:83831.33
Organism:Escherichia coli (strain K12)
Description:n/a
Residue:752
Sequence:
MSDMAERLALHEFTENAYLNYSMYVIMDRALPFIGDGLKPVQRRIVYAMSELGLNASAKF
KKSARTVGDVLGKYHPHGDSACYEAMVLMAQPFSYRYPLVDGQGNWGAPDDPKSFAAMRY
TESRLSKYSELLLSELGQGTADWVPNFDGTLQEPKMLPARLPNILLNGTTGIAVGMATDI
PPHNLREVAQAAIALIDQPKTTLDQLLDIVQGPDYPTEAEIITSRAEIRKIYENGRGSVR
MRAVWKKEDGAVVISALPHQVSGARVLEQIAAQMRNKKLPMVDDLRDESDHENPTRLVIV
PRSNRVDMDQVMNHLFATTDLEKSYRINLNMIGLDGRPAVKNLLEILSEWLVFRRDTVRR
RLNYRLEKVLKRLHILEGLLVAFLNIDEVIEIIRNEDEPKPALMSRFGLTETQAEAILEL
KLRHLAKLEEMKIRGEQSELEKERDQLQGILASERKMNNLLKKELQADAQAYGDDRRSPL
QEREEAKAMSEHDMLPSEPVTIVLSQMGWVRSAKGHDIDAPGLNYKAGDSFKAAVKGKSN
QPVVFVDSTGRSYAIDPITLPSARGQGEPLTGKLTLPPGATVDHMLMESDDQKLLMASDA
GYGFVCTFNDLVARNRAGKALITLPENAHVMPPVVIEDASDMLLAITQAGRMLMFPVSDL
PQLSKGKGNKIINIPSAEAARGEDGLAQLYVLPPQSTLTIHVGKRKIKLRPEELQKVTGE
RGRRGTLMRGLQRIDRVEIDSPRRASSGDSEE
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Component 2
Name:DNA Topoisomerase IV Subunit B
Synonyms:DNA topoisomerase 4 subunit B (parE)
Type:Enzyme Subunit
Mol. Mass.:70233.03
Organism:Escherichia coli (strain K12)
Description:n/a
Residue:630
Sequence:
MTQTYNADAIEVLTGLEPVRRRPGMYTDTTRPNHLGQEVIDNSVDEALAGHAKRVDVILH
ADQSLEVIDDGRGMPVDIHPEEGVPAVELILCRLHAGGKFSNKNYQFSGGLHGVGISVVN
ALSKRVEVNVRRDGQVYNIAFENGEKVQDLQVVGTCGKRNTGTSVHFWPDETFFDSPRFS
VSRLTHVLKAKAVLCPGVEITFKDEINNTEQRWCYQDGLNDYLAEAVNGLPTLPEKPFIG
NFAGDTEAVDWALLWLPEGGELLTESYVNLIPTMQGGTHVNGLRQGLLDAMREFCEYRNI
LPRGVKLSAEDIWDRCAYVLSVKMQDPQFAGQTKERLSSRQCAAFVSGVVKDAFILWLNQ
NVQAAELLAEMAISSAQRRMRAAKKVVRKKLTSGPALPGKLADCTAQDLNRTELFLVEGD
SAGGSAKQARDREYQAIMPLKGKILNTWEVSSDEVLASQEVHDISVAIGIDPDSDDLSQL
RYGKICILADADSDGLHIATLLCALFVKHFRALVKHGHVYVALPPLYRIDLGKEVYYALT
EEEKEGVLEQLKRKKGKPNVQRFKGLGEMNPMQLRETTLDPNTRRLVQLTIDDEDDQRTD
AMMDMLLAKKRSEDRRNWLQEKGDMAEIEV
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BDBM24611
NameBDBM24611
Synonyms:3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea | Benzimidazole urea analogue, 15
TypeSmall organic molecule
Emp. Form.C20H17FN6O
Mol. Mass.376.387
SMILESCCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ncccc1F
Structure
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BDBM2
NameBDBM2
Synonyms:({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid | ATP | Brimonidine ATP | CHEMBL14249
TypeNucleoside or nucleotide
Emp. Form.C10H16N5O13P3
Mol. Mass.507.181
SMILESNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Structure
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