Structure of PDB 8po7 Chain A Binding Site BS02

Receptor Information
>8po7 Chain A (length=594) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQKLTFTALQQRLDSLMLRDRLRFSRRLHGVKKVKNPDAQQAIFQEMAKE
IDQAAGKVLLREAARPEITYPDNLPVSQKKQDILEAIRDHQVVIVAGETG
SGKTTQLPKICMELGRGIKGLIGHTQPRRLAARTVANRIAEELKTEPGGC
IGYKVRFSNHVSDNTMVKLMTDGILLAEIQQDRLLMQYDTIIIDEAHERS
LNIDFLLGYLKELLPRRPDLKIIITSATIDPERFSRHFNNAPIIEVSGRT
YPVEVRYRPIVEEADDTERDQLQAIFDAVDELSQESPGDILIFMSGEREI
RDTADALNKLNLRHTEILPLYARLSNSEQNRVFQSHSGRRIVLATNVAET
SLTVPGIKYVIDPGTARISRYSYRTKVQRLPIEPISQASANQRKGRCGRV
SEGICIRLYSEDDFLSRPEFTDPEILRTNLASVILQMTALGLGDIAAFPF
VEAPDKRNIQDGVRLLEELGAITLTPLGRQLSQLPVDPRLARMVLEAQKH
GCVREAMIITSALSIQDPRESDFLAFVNLWNYLGEQQKALSSNAFRRLCR
TDYLNYLRVREWQDIYTQLRQVVKELGIPVNSEPAEYREIHIAL
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 chain8po7 Chain A 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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PDB8po7 Structural insights into the N-terminal APHB domain of HrpA: mediating canonical and i-motif recognition.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		T102 G103 S104 G105 K106 T107 T108 R141 F336
Binding residue
(residue number reindexed from 1)		T99 G100 S101 G102 K103 T104 T105 R138 F333
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:8po7, PDBe:8po7, PDBj:8po7
PDBsum8po7
PubMed38412313
UniProtP43329|HRPA_ECOLI ATP-dependent RNA helicase HrpA (Gene Name=hrpA)

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