Structure of PDB 8vxy Chain B Binding Site BS03

Receptor Information
>8vxy Chain B (length=1161) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPATADEIIEAIKEASAVGFRGRLIARGQARSVIWRDGDLPPDAPEFSAL
LSQDLQGYAYALIDLGLRLRELNGDDAYARIAFEQAGTALESAIAKGKRD
SRDTDFHFVMAAASYHLAHLSARAYSLLAMVGQDDNFSPIERALTQLIRR
DLRTLRDNALGFRLRGDGSDVKITEILQARLNLPQDENGDSESEEDILFD
GLDLALTDAYMSAISLYLLAVERGESRLLSRAIEKLRISLSICAQFNMLP
QWWLNFITIHLLSDLWSDTFHERLPLVPVGGDAAEWPALRELFIALLQRR
PRAEIDLWPSQREAAGRSVNDNDDLVVSLPTSAGKTRIAELCILRCLAGG
KRVVFITPLRALSAQTEATLSRTFGPLGKTISMLYGSIGVSGMDEDAIRQ
RDIVVATPEKLDFALRNDPSIINDVGLFIFDEGHMIGADEREVRYEVQIQ
RLLRRQDADTRRIVCLSAILPDGEQLDDFAGWLRRDKPGGPIKNNWRPTR
LQFGEVIWSAPAGRLNLSVGYEAAWVSRFIVSRQPPFPSDNKELCLATAW
RLIEDGQTVLIYCPLRRSVEPFAETIVDLHQRGLLPSLFDAAPDILDTAI
SLGEEWLGAHSPILACLRLGVALHHGALPTAYRKEIERLLRDGVLKVTIS
SPTLAQGLNLSATAIVMHSLHRNRELIKVSEFRNVIGRAGRAYVDVEGLV
IYPIFDKVNKRQTNWHTLTSDTGAREMESGLIQLVCVLLIRMHTRLGGDL
KALTEYVTNNAVAWEFPEIMTESPQERDIAQAIWEKQLSTLDTAILSLLG
ENDIPDDQIETALDDILQSSLWQRSLQRYRDENERILLKSGLLSRSRYIW
QRSTAAGRRGYFLSGVGLTTGLRLDAIAAKANQLLIDANAAIMGGDAEEA
IAAITALAEEVFTFYPFIPDPLPGDWRGILRSWLLGEPMTNVANTQASET
LQFVENGLVYRLPWAMEAIRVRATANGDLIGDTDTTLDDYELGFAVAAVE
TGTLSRSSSLLIQAGFSSRLAAIKVVTDTTADFQSGQELRRWLNSEEVIS
HTDNHDWPTPETRVMWLEFLGSLSPKGSQVWSRHRYNGMVDWRDTPAVIG
TPLQLYTVDGIHHVLADDGTPLGSINGRINTNRRGLLRVEVDDENGRAMF
DYLGPDDFIST
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 chain8vxy Chain B Residue 1201 [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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PDB8vxy Hachiman is a genome integrity sensor
Resolution3.19 Å
Binding residue
(original residue number in PDB)		E304 D306 W308 L329 T331 S332 A333 G334 K335 T336 R337 Y706
Binding residue
(residue number reindexed from 1)		E304 D306 W308 L329 T331 S332 A333 G334 K335 T336 R337 Y693
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:8vxy, PDBe:8vxy, PDBj:8vxy
PDBsum8vxy
PubMed38464307
UniProtA0A426EXV0

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