Structure of PDB 8hsj Chain E Binding Site BS01

Receptor Information
>8hsj 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 chain8hsj 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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PDB8hsj Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		G189 K190 T191 T192 E217 R218 E221 D272 S273 R276 L327 F362
Binding residue
(residue number reindexed from 1)		G130 K131 T132 T133 E158 R159 E162 D213 S214 R217 L268 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:8hsj, PDBe:8hsj, PDBj:8hsj
PDBsum8hsj
PubMed36753546
UniProtQ5SJE9

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