Structure of PDB 7oqh Chain F Binding Site BS01

Receptor Information
>7oqh Chain F (length=356) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQPVAGILDVLDNYAFVRTSGYLPGPHDVYVSMNMVRKNGMRRGDAVTGA
VRVPKEGKFNPLVRLDSINGGSVEDAKKRPEFGKLTPLYPNQRLRLETST
ERLTTRVIDLIMPIGKGQRALIVSPPKAGKTTILQDIANAITRNNPECHL
MVVLVDERPEEVTDMQRSVKGEVIASTFDRPPSDHTSVAELAIERAKRLV
EQGKDVVVLLDSITRLGRAYNNASPALSGGVDSTALYPPKRFLGAARNIE
EGGSLTIIATAMVETGSTGDTVIFEEFKGTGNAELKLDRKIAERRVFPAV
DVNPSGTRKDELLLSPDEFAIVHKLRRVLSGLDSHQAIDLLMSQLRKTKN
NYEFLV
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7oqh Chain F Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7oqh Cryo-EM structure of transcription termination factor Rho from Mycobacterium tuberculosis reveals bicyclomycin resistance mechanism.
Resolution3.32 Å
Binding residue
(original residue number in PDB)		K356 G358 T360 T361 F530
Binding residue
(residue number reindexed from 1)		K127 G129 T131 T132 F297
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0008186 ATP-dependent activity, acting on RNA
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006353 DNA-templated transcription termination
GO:0006363 termination of RNA polymerase I transcription
Cellular Component
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7oqh, PDBe:7oqh, PDBj:7oqh
PDBsum7oqh
PubMed35140348
UniProtP9WHF3|RHO_MYCTU Transcription termination factor Rho (Gene Name=rho)

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