Structure of PDB 7h2f Chain B Binding Site BS01
Receptor Information
>7h2f Chain B (length=156) Species:
64320
(Zika virus) [
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GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRL
DPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGI
FKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAI
TQGKRE
Ligand information
Ligand ID
A1AJ6
InChI
InChI=1S/C6H14N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h6-8H,2-5H2,1H3
InChIKey
NAEICDPYHCEZMG-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=S(C)(=O)NC1CCNCC1
OpenEye OEToolkits 2.0.7
CS(=O)(=O)NC1CCNCC1
CACTVS 3.385
C[S](=O)(=O)NC1CCNCC1
Formula
C6 H14 N2 O2 S
Name
N-(piperidin-4-yl)methanesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain
7h2f Chain B Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
7h2f
PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution
1.381 Å
Binding residue
(original residue number in PDB)
D129 Y130 P131 A132 S135 Y150 Y161
Binding residue
(residue number reindexed from 1)
D114 Y115 P116 A117 S120 Y135 Y146
Annotation score
1
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:7h2f
,
PDBe:7h2f
,
PDBj:7h2f
PDBsum
7h2f
PubMed
UniProt
Q32ZE1
|POLG_ZIKV Genome polyprotein
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