Structure of PDB 8po8 Chain B Binding Site BS03

Receptor Information
>8po8 Chain B (length=615) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTFTALQQRLDSLMLRDRLRFSRRLHGVKKVKNPDAQQAIFQEMAKEIDQ
AAGKVLLREAARPEITYPDNLPVSQKKQDILEAIRDHQVVIVAGETGSGK
TTQLPKICMELGRGIKGLIGHTQPRRLAARTVANRIAEELKTEPGGCIGY
KVRFSNHVSDNTMVKLMTDGILLAEIQQDRLLMQYDTIIIDEAHERSLNI
DFLLGYLKELLPRRPDLKIIITSATIDPERFSRHFNNAPIIEVSGRTYPV
EVRYRPITERDQLQAIFDAVDELSQESPGDILIFMSGEREIRDTADALNK
LNLRHTEILPLYARLSNSEQNRVFQSHSGRRIVLATNVAETSLTVPGIKY
VIDPGTARISRYSYRTKVQRLPIEPISQASANQRKGRCGRVSEGICIRLY
SEDDFLSRPEFTDPEILRTNLASVILQMTALGLGDIAAFPFVEAPDKRNI
QDGVRLLEELGAITTDSAYKLTPLGRQLSQLPVDPRLARMVLEAQKHGCV
REAMIITSALSIQDPRERPMDKQQASDEKHRRFHDKESDFLAFVNLWNYL
GEQQKALSSNAFRRLCRTDYLNYLRVREWQDIYTQLRQVVKELGIPVNSE
PAEYREIHIALLTGL
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 chain8po8 Chain B Residue 2001 [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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PDB8po8 Structural insights into the N-terminal APHB domain of HrpA: mediating canonical and i-motif recognition.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		T102 G103 S104 G105 K106 T107 T108 R141 F336 T356
Binding residue
(residue number reindexed from 1)		T96 G97 S98 G99 K100 T101 T102 R135 F324 T344
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003724 RNA helicase activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:8po8, PDBe:8po8, PDBj:8po8
PDBsum8po8
PubMed38412313
UniProtP43329|HRPA_ECOLI ATP-dependent RNA helicase HrpA (Gene Name=hrpA)

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