Structure of PDB 7oqh Chain D Binding Site BS01

Receptor Information
>7oqh Chain D (length=364) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVQPVAGILDVLDNYAFVRTSGYLPGPHDVYVSMNMVRKNGMRRGDAVTG
AVRVPKEQKFNPLVRLDSINGGSVEDAKKRPEFGKLTPLYPNQRLRLETS
TERLTTRVIDLIMPIGKGQRALIVSPPKAGKTTILQDIANAITRNNPECH
LMVVLVDERPEEVTDMQRSVKGEVIASTFDRPPSDHTSVAELAIERAKRL
VEQGKDVVVLLDSITRLGRAYNNASPASGRILSGGVDSTALYPPKRFLGA
ARNIEEGGSLTIIATAMVETGSTGDTVIFEEFKGTGNAELKLDRKIAERR
VFPAVDVNPSGTRKDELLLSPDEFAIVHKLRRVLSGLDSHQAIDLLMSQL
RKTKNNYEFLVQVS
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 D 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)		G358 T360 T361 F530
Binding residue
(residue number reindexed from 1)		G130 T132 T133 F302
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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