Structure of PDB 2zj5 Chain A Binding Site BS01

Receptor Information
>2zj5 Chain A (length=680) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVDELRVDERIKSTLKERGIESFYPPQAEALKSGILEGKNALISIPTAS
GKTLIAEIAMVHRILTQGGKAVYIVPLKALAEEKFQEFQDWEKIGLRVAM
ATGDYDSKDEWLGKYDIIIATAEKFDSLLRHGSSWIKDVKILVADEIHLI
GSRDRGATLEVILAHMLGKAQIIGLSATIGNPEELAEWLNAELIVSDWRP
VKLRRGVFYQGFVTWEDGSIDRFSSWEELVYDAIRKKKGALIFVNMRRKA
ERVALELSKKVKSLLTKPEIRALNELADSLEENPTNEKLAKAIRGGVAFH
HAGLGRDERVLVEENFRKGIIKAVVATPTLSPAFRVIIRDIWRYSDFGME
RIPIIEVHQMLGRAGRPKYDEVGEGIIVSTSDDPREVMNHYIFGKPEKLF
SQLSNESNLRSQVLALIATFGYSTVEEILKFISNTFYAYQRKDTYSLEEK
IRNILYFLLENEFIEISLEDKIRPLSLGIRTAKLYIDPYTAKMFKDKMEE
VVKDPNPIGIFHLISLTPDITPFNYSKREFERLEEEYYEFKDRLYFDDPY
ERKFFRAFKTALVLLAWINEVPEGEIVEKYSVEPGDIYRIVETAEWLVYS
LKEIAKVLGAYEIVDYLETLRVRVKYGIREELIPLMQLPLVGRRRARALY
NSGFRSIEDISQARPEELLKIEVEAIFKFL
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 chain2zj5 Chain A Residue 801 [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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PDB2zj5 Atomic structures and functional implications of the archaeal RecQ-like helicase Hjm
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S23 Y25 Q28 T48 G51 K52 T53 L54
Binding residue
(residue number reindexed from 1)		S23 Y25 Q28 T48 G51 K52 T53 L54
Annotation score5
Enzymatic activity
Enzyme Commision number 5.6.2.4: DNA 3'-5' helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016818 hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides
GO:0016853 isomerase activity
GO:0016887 ATP hydrolysis activity
GO:0043138 3'-5' DNA helicase activity
Biological Process
GO:0006281 DNA repair
GO:0032508 DNA duplex unwinding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2zj5, PDBe:2zj5, PDBj:2zj5
PDBsum2zj5
PubMed19159486
UniProtO73946|HELS_PYRFU ATP-dependent DNA helicase Hel308 (Gene Name=hel308)

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