Structure of PDB 7pbq Chain E Binding Site BS01

Receptor Information
>7pbq Chain E (length=312) Species: 1308 (Streptococcus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLRPQYFKEYIGQDKVKDQLKIFIEAAKLRDEALDHTLLFGPPGLGKTTM
AFVIANEMGVNLKQTSGPAIEKAGDLVAILNDLEPGDILFIDEIHRMPMA
VEEVLYSAMEDYYIDIMIGAGETSRSVHLDLPPFTLVGATTRAGMLSNPL
RARFGINGHMEYYELPDLTEIVERTSEIFEMTITPEAALELARRSRGTPR
IANRLLKRVRDYAQIMGDGVIDDKIADQALTMLDVDHEGLDYVDQKILRT
MIEMYGGGPVGLGTLSVNIAEERETVEDMYEPYLIQKGFIMRTRTGRVAT
AKAYEHMGYDYT
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 chain7pbq Chain E Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pbq Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		R21 P22 G62 G64 K65 T66 T67 P217 R218
Binding residue
(residue number reindexed from 1)		R3 P4 G44 G46 K47 T48 T49 P199 R200
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0000400 four-way junction DNA binding
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0009378 four-way junction helicase activity
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0032508 DNA duplex unwinding
Cellular Component
GO:0005737 cytoplasm
GO:0048476 Holliday junction resolvase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7pbq, PDBe:7pbq, PDBj:7pbq
PDBsum7pbq
PubMed36002576
UniProtQ5M2B1|RUVB_STRT2 Holliday junction branch migration complex subunit RuvB (Gene Name=ruvB)

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