Structure of PDB 7h1p Chain B Binding Site BS01

Receptor Information
>7h1p Chain B (length=156) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRL
DPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGI
FKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAI
TQGKRE
Ligand information
Ligand IDUS7
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyKNQFDOLIXOOIGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N2CCN(c1ccc(S(=O)(C)=O)cc1)CC2
CACTVS 3.385C[S](=O)(=O)c1ccc(cc1)N2CCNCC2
OpenEye OEToolkits 2.0.7CS(=O)(=O)c1ccc(cc1)N2CCNCC2
FormulaC11 H16 N2 O2 S
Name1-[4-(methylsulfonyl)phenyl]piperazine
ChEMBLCHEMBL4543970
DrugBank
ZINCZINC000000154150
PDB chain7h1p Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7h1p PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.38 Å
Binding residue
(original residue number in PDB)		H51 D75 A132 N152
Binding residue
(residue number reindexed from 1)		H36 D60 A117 N137
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:7h1p, PDBe:7h1p, PDBj:7h1p
PDBsum7h1p
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

[Back to BioLiP]