Structure of PDB 4blo Chain F Binding Site BS02

Receptor Information
>4blo Chain F (length=269) Species: 10879 (Cystovirus phi6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPIVVTQAHIDRVGIAADLLDASPVSLQVLGRPTAINTVVIKTYIAAVME
LASKQGGSLAGVDIRPSVLLKDTAIFTDVESDVDVLDTGIYSVPGLARKP
VTHRWPSEGIYSGVTALMGATGSGKSITLNEKLRPDVLIRWGEVAEAYDE
LDTAVHISTLDEMLIVCIGLGALGFNVAVDSVRPLLFRLKGAASAGGIVA
VFYSLLTDISNLFTQYDCSVVMVVNPMVDAEKIEYVFGQVMASTVGAILC
ADGNVSRTMFRTNKGRIFN
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 chain4blo Chain F Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4blo Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G129 G131 K132 S133 I134
Binding residue
(residue number reindexed from 1)		G122 G124 K125 S126 I127
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0017111 ribonucleoside triphosphate phosphatase activity
Biological Process
GO:0019072 viral genome packaging
Cellular Component
GO:0019028 viral capsid
GO:0046729 viral procapsid

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4blo, PDBe:4blo, PDBj:4blo
PDBsum4blo
PubMed23939620
UniProtP11125|P4_BPPH6 Packaging enzyme P4 (Gene Name=P4)

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