Structure of PDB 7a8r Chain A Binding Site BS02

Receptor Information
>7a8r Chain A (length=531) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSSPASWNKEDFPWSGKVKDVLQNVFKLQKFRPLQLETINVTMSGKEVFL
VMPTGGGKSLCYQLPALCSDGFTLVICPLISLMEDQLMVLKQLGISATML
NASSPKEHVKWVHAEMVNKNSKLKLIYVTPEKIAKSKMFMSRLEKAYEAR
RFTRIAVDEVHCCSQWGHDFRPDYKALGILKRQFPNASLIGLTATATSHV
LKDAQKILCVEKCFTFTASFNRPNLYYEVRQKPSNTEDFIEDIVKLINGR
YKGQSGIIYCFSQKDSEQVTISLQKLGIPAGAYHANMEPEDKTKVHRRWA
ANEIQVVVATVAFGMGIDKPDVRFVIHHSMSKSMENYYQESGRAGRDDMK
ADCILYYGFGDIFRISSMVVMENVGQQKLYEMVSYCQNINKCRRVLIAQH
FDEVWSPEACNKMCDNCCKEISFERKNVTAYCRDLIKILKQAEDLNEKLT
PLKLIDSWMGKGASKLRVAGLAPPTLPREDLEKIIAHFLIQQYLKEDYSF
TAYATISYLKVGPKANLLNNEAHVITMRVKK
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 chain7a8r Chain A Residue 1002 [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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PDB7a8r Endogenous Bos taurus RECQL is predominantly monomeric and more active than oligomers.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		L89 R93 Q96 T115 G116 G118 K119 S120
Binding residue
(residue number reindexed from 1)		L28 R32 Q35 T54 G55 G57 K58 S59
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:0004386 helicase activity
GO:0005524 ATP binding
Biological Process
GO:0006310 DNA recombination

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7a8r, PDBe:7a8r, PDBj:7a8r
PDBsum7a8r
PubMed34496242
UniProtA0JN36

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