Structure of PDB 8hsr Chain E Binding Site BS01

Receptor Information
>8hsr Chain E (length=361) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLVKGYLEISQDGYGFLTENLHNLESRVAIVSAGLIKQYALRAGDYVVGQ
ARPPRENERYATLLKVEAVNNLDPEAAKNRPRFDELTPQFPDRQIRLETT
PDELSTRVIDLLAPIGRGQRGLIVAPPKAGKTTLLKKIANAVLKNEPDIK
VIVLLIDERPEEVTDFRESVQGAEVIASTFDEPPQNHIRVAEFVHERAKR
IVEEGGHVMILLDSITRLARANNLVTPPTGRTLSGGLDSAALYFPKRFLG
AARNIRGGGSLTILATALVETGSRMDDVIFEEFKGTGNMELHLSRRLEER
RIFPAIDILKSGTRREELLLGEEVTHKMWLLRKVLADMDPAEAMEMLLAR
LARTKNNKEFL
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 chain8hsr Chain E Residue 1000 [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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PDB8hsr Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		P186 K187 A188 G189 K190 T191 T192 L193 K196 F362
Binding residue
(residue number reindexed from 1)		P127 K128 A129 G130 K131 T132 T133 L134 K137 F303
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8hsr, PDBe:8hsr, PDBj:8hsr
PDBsum8hsr
PubMed36753546
UniProtQ5SJE9

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