Structure of PDB 7h1n Chain B Binding Site BS01
Receptor Information
>7h1n Chain B (length=154) Species:
64320
(Zika virus) [
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ETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLD
PYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIF
KTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAIT
QGKR
Ligand information
Ligand ID
U4C
InChI
InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1
InChIKey
ABOZUPQQWCLVDB-LBPRGKRZSA-N
SMILES
Software
SMILES
CACTVS 3.385
O=C1Nc2ccccc2C[C]13CCCN3
ACDLabs 12.01
O=C1Nc2ccccc2CC21CCCN2
CACTVS 3.385
O=C1Nc2ccccc2C[C@@]13CCCN3
OpenEye OEToolkits 2.0.7
c1ccc2c(c1)CC3(CCCN3)C(=O)N2
OpenEye OEToolkits 2.0.7
c1ccc2c(c1)C[C@@]3(CCCN3)C(=O)N2
Formula
C12 H14 N2 O
Name
(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
ChEMBL
DrugBank
ZINC
PDB chain
7h1n Chain B Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
7h1n
PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution
1.407 Å
Binding residue
(original residue number in PDB)
D129 Y130 A132 S135 G151 Y161
Binding residue
(residue number reindexed from 1)
D113 Y114 A116 S119 G135 Y145
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:7h1n
,
PDBe:7h1n
,
PDBj:7h1n
PDBsum
7h1n
PubMed
UniProt
Q32ZE1
|POLG_ZIKV Genome polyprotein
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