Structure of PDB 6x4w Chain A Binding Site BS03

Receptor Information
>6x4w Chain A (length=1144) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYRYTLPVKAGEQRLLGELTGAACATLVAEIAERHAGPVVLIAPDMQNAL
RLHDEISQFTDQMVMNLADWETLPYDSFSPHQDIISSRLSTLYQLPTMQR
GVLIVPVNTLMQRVCPHSFLHGHALVMKKGQRLSRDALRTQLDSAGYRHV
DQVMEHGEYATRGALLDLFPMGSELPYRLDFFDDEIDSLRVFDVDSQRTL
EEVEAINLLPAHEFPTDKAAIELFRSQWRDTFEVKRDPEHIYQQVSKGTL
PAGIEYWQPLFFSEPLPPLFSYFPANTLLVNTGDLETSAERFQADTLARF
ENRGVDPMRPLLPPQSLWLRVDELFSELKNWPRVQLKTEHLPTKAANANL
GFQKLPDLAVQAQQKAPLDALRKFLETFDGPVVFSVESEGRREALGELLA
RIKIAPQRIMRLDEASDRGRYLMIGAAEHGFVDTVRNLALICESDLLGER
VARRRQDSRRTINPDTLIRNLAELHIGQPVVHLEHGVGRYAGMTTLEAGG
ITGEYLMLTYANDAKLYVPVSSLHLISRYAGGAEENAPLHKLGGDAWSRA
RQKAAEKVRDVAAELLDIYAQRAAKEGFAFKHDREQYQLFCDSFPFETTP
DQAQAINAVLSDMCQPLAMDRLVCGDVGFGKTEVAMRAAFLAVDNHKQVA
VLVPTTLLAQQHYDNFRDRFANWPVRIEMISRFRSAKEQTQILAEVAEGK
IDILIGTHKLLQSDVKFKDLGLLIVDEEHRFGVRHKERIKAMRANVDILT
LTATPIPRTLNMAMSGMRDLSIIATPPARRLAVKTFVREYDSMVVREAIL
REILRGGQVYYLYNDVENIQKAAERLAELVPEARIAIGHGQMRERELERV
MNDFHHQRFNVLVCTTIIETGIDIPTANTIIIERADHFGLAQLHQLRGRV
GRSHHQAYAWLLTPHPKAMTTDAQKRLEAIASLEDLGAGFALATHDLEIR
GAGELLGEEQSGSMETIGFSLYMELLENAVDALKAGREPSLEDLTSQQTE
VELRMPSLLPDDFIPDVNTRLSFYKRIASAKTENELEEIKVELIDRFGLL
PDPARTLLDIARLRQQAQKLGIRKLEGNEKGGVIEFAEKNHVNPAWLIGL
LQKQPQHYRLDGPTRLKFIQDLSERKTRIEWVRQFMRELEENAI
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6x4w Chain A Residue 2000 [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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PDB6x4w Structural basis for transcription complex disruption by the Mfd translocase.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		F599 E600 Q605 G631 G633 K634 T635 P780
Binding residue
(residue number reindexed from 1)		F596 E597 Q602 G628 G630 K631 T632 P777
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015616 DNA translocase activity
GO:0016787 hydrolase activity
GO:0043175 RNA polymerase core enzyme binding
Biological Process
GO:0000716 transcription-coupled nucleotide-excision repair, DNA damage recognition
GO:0006281 DNA repair
GO:0006283 transcription-coupled nucleotide-excision repair
GO:0006294 nucleotide-excision repair, preincision complex assembly
GO:0006355 regulation of DNA-templated transcription
GO:0006974 DNA damage response
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:1990391 DNA repair complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6x4w, PDBe:6x4w, PDBj:6x4w
PDBsum6x4w
PubMed33480355
UniProtP30958|MFD_ECOLI Transcription-repair-coupling factor (Gene Name=mfd)

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