Structure of PDB 5jrj Chain A Binding Site BS02

Receptor Information
>5jrj Chain A (length=306) Species: 964 (Herbaspirillum seropedicae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AANNSEKSKALAAALAQIEKQFGKGSVMRMEDGVIIQAVSTGSLGLDIAL
GIGGLPRGRVIEIYGPESSGKTTLTLQSIAEMQKLGGTCAFIDAEHALDV
TYAQKLGVNLNDLLISQPDTGEQALEICDALVRSGAVDLIVVDSVAALTP
KAEIERLMSQALRKLTGSINRTNTTVIFINQIGNALKFYASVRLDIRRTG
SIKSGDEVIGSETKVKVVKNKVAPPFREAHFDILYGEGTSREGEILDLGS
EHKVVEKSGAWYSYNGERIGQGKDNARNYLKEHPELAREIENKVRVALGV
PELAGG
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 chain5jrj Chain A Residue 402 [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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PDB5jrj Structural and Functional Studies of H. seropedicae RecA Protein - Insights into the Polymerization of RecA Protein as Nucleoprotein Filament.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E75 S76 G78 K79 T80 T81 D107 Y110 Q201 Y271 G272
Binding residue
(residue number reindexed from 1)		E67 S68 G70 K71 T72 T73 D99 Y102 Q181 Y235 G236
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0003697 single-stranded DNA binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0009432 SOS response
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5jrj, PDBe:5jrj, PDBj:5jrj
PDBsum5jrj
PubMed27447485
UniProtD8IYL4

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