Structure of PDB 7bil Chain B Binding Site BS02

Receptor Information
>7bil Chain B (length=436) Species: 751945 (Thermus oshimai JL-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLSSEQQRAFLAVTQTPHPAHLITGPAGTGKTTLLYALQEFYKGRAVTLA
PTGTAALQARGQTVHSFFRFPARLLRYRHPEDIRPPGPHSPLRKAIEQME
VLILDEVGMVRVDLLEAMDWALRKTRKRLEEPFGGVKVLLLGDTRQLEPV
VPGGEEALYIARTWGGPFFFQAHVWEEVALRVHRLWESQRQREDPLFAEL
LKRLRQGDPQALETLNRAAVRPDGGEEPGTLILTPRRKEADALNLKRLEA
LPGKPLEYQAQVKGEFAETDFPTEAALTLKKGAQVILLRNDPLGEYFNGD
LGWVEDLEAEALAVRLKRNGRRVVIRPFVWEKIVYTYDSEREEIKPQVVG
TFRQVPVRLAWALTVHKAQGLTLDKVHLELGRGLFAHGQLYVALTRVRRL
QDLSLSRPIAPTELLWRPEVEVFETRIQEGIWQKSH
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 chain7bil Chain B 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]
PDB7bil Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		G67 Q72 G94 G96 K97 T98 T99 Q255 R256 R258 T438
Binding residue
(residue number reindexed from 1)		G1 Q6 G28 G30 K31 T32 T33 Q189 R190 R192 T372
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0000723 telomere maintenance
GO:0006281 DNA repair
GO:0032508 DNA duplex unwinding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7bil, PDBe:7bil, PDBj:7bil
PDBsum7bil
PubMed33784404
UniProtK7RJ88

[Back to BioLiP]