Structure of PDB 5o6e Chain A Binding Site BS03

Receptor Information
>5o6e Chain A (length=512) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLSKEQESIIKLAENGHNIFYTGSAGTGKSILLREMIKVLKGIYGRENVA
VTASTGLAACNIGGITIHSFAGIGLGKGDADKLYKKVRRSRKHLRRWENI
GALVVDEISMLDAELLDKLDFIARKIRKNHQPFGGIQLIFCGDFFQLPPV
SKDPNRPTKFAFESKAWKEGVKMTIMLQKVFRQRGDVKFIDMLNRMRLGN
IDDETEREFKKLSRPLPDDEIIPAELYSTRMEVERANNSRLSKLPGQVHI
FNAIDGGALEDEELKERLLQNFLAPKELHLKVGAQVMMVKNLDATLVNGS
LGKVIEFMDPETYFCYEALTNDPSMPPEKLETWAENPSKLKAAMEREQRK
SSVKEGFAKSDIGEPVSPLDSSVFDFMKRVVLENIKRKEQLMQTIHQNSA
GKRRLPLVRFKASDMSTRMVLVEPEDWAIEDENEKPLVSRVQLPLMLAWS
LSIHKSQGQTLPKVKVDLRRVFEKGQAYVALSRAVSREGLQVLNFDRTRI
KAHQKVIDFYLT
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 chain5o6e Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5o6e Insights into the structural and mechanistic basis of multifunctional S. cerevisiae Pif1p helicase.
Resolution3.345 Å
Binding residue
(original residue number in PDB)		G261 G263 K264 S265 I266 F416 R417 T711
Binding residue
(residue number reindexed from 1)		G26 G28 K29 S30 I31 F181 R182 T460
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003678 DNA helicase activity
Biological Process
GO:0000723 telomere maintenance
GO:0006281 DNA repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5o6e, PDBe:5o6e, PDBj:5o6e
PDBsum5o6e
PubMed29202194
UniProtP07271|PIF1_YEAST ATP-dependent DNA helicase PIF1 (Gene Name=PIF1)

[Back to BioLiP]