Structure of PDB 7vxx Chain D Binding Site BS01

Receptor Information
>7vxx Chain D (length=150) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKKGETTDGVYRVMTRTQVGVGVMQEGVFHTMWHVTKGAALRSRLDPYWG
DVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKD
GDIGAVALDYPAGTSGSPILDKSGRVIGLYGNGVVIKNGSYVSAITQGKR
Ligand information
Ligand IDPBZ
InChIInChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1
InChIKeyWPANETAWYGDRLL-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04N/C(c1ccc(N)cc1)=[NH2+]
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=[NH2+])N)N
CACTVS 3.341NC(=[NH2+])c1ccc(N)cc1
FormulaC7 H10 N3
NameP-AMINO BENZAMIDINE
ChEMBL
DrugBank
ZINC
PDB chain7vxx Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vxx Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D129 Y130 A132 Y161
Binding residue
(residue number reindexed from 1)		D109 Y110 A112 Y141
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.1.1.57: methyltransferase cap1.
2.7.7.48: RNA-directed RNA polymerase.
3.4.21.91: flavivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003724 RNA helicase activity
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:7vxx, PDBe:7vxx, PDBj:7vxx
PDBsum7vxx
PubMed36049322
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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