Structure of PDB 8hwd Chain A Binding Site BS01

Receptor Information
>8hwd Chain A (length=308) Species: 10244 (Monkeypox virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNKLFNIAQRILDTNSVLLTERGDHIVWINNSWKFNSEEPLITKLILSIR
HQLPKEYSSELLCPRKRKTVEANIRDMLVDSVETDTYPDKLPFKNGVLDL
VDGMFYSGDDAKKYTCTVSTGFKFDDTKFVEDSPEMEELMNIINDIQPLT
DENKKNRELYEKTLSSCLCGATKGCLTFFFGETATGKSTTKRLLKSAIGD
LFVETGQTILPFIANMHLKRSVFCRSDNIKKLTEPCVNRNHATIIIDNAL
MRRIAVVRFRTHFSYDKVKLLDEGLDGKIQNNRYRFAFLYLLVKWYKKYH
IPIMKLYP
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 chain8hwd Chain A Residue 1001 [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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PDB8hwd Structural insight into the assembly and working mechanism of helicase-primase D5 from Mpox virus.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		I464 D467 A506 T507 G508 K509 T511 R514 F630 L650 D652 D656
Binding residue
(residue number reindexed from 1)		I142 D145 A184 T185 G186 K187 T189 R192 F263 L270 D272 D276
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
Cellular Component
GO:0030430 host cell cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8hwd, PDBe:8hwd, PDBj:8hwd
PDBsum8hwd
PubMed38177671
UniProtA0A7H0DN89|PG117_MONPV Uncoating factor OPG117 (Gene Name=OPG117)

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