Structure of PDB 7h1w Chain B Binding Site BS01

Receptor Information
>7h1w 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 IDA1AJT
InChIInChI=1S/C10H16N2S/c1-8(6-11)12-4-2-10-9(7-12)3-5-13-10/h3,5,8H,2,4,6-7,11H2,1H3/t8-/m0/s1
InChIKeyMQKOIUAPLLHABT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](CN)N1CCc2sccc2C1
CACTVS 3.385C[C@H](CN)N1CCc2sccc2C1
OpenEye OEToolkits 2.0.7C[C@@H](CN)N1CCc2c(ccs2)C1
OpenEye OEToolkits 2.0.7CC(CN)N1CCc2c(ccs2)C1
ACDLabs 12.01CC(CN)N1CCc2sccc2C1
FormulaC10 H16 N2 S
Name(2R)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-amine
ChEMBL
DrugBank
ZINC
PDB chain7h1w Chain B Residue 202 [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]
PDB7h1w PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.396 Å
Binding residue
(original residue number in PDB)		S135 G151 V155 Y161
Binding residue
(residue number reindexed from 1)		S120 G136 V140 Y146
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:7h1w, PDBe:7h1w, PDBj:7h1w
PDBsum7h1w
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

[Back to BioLiP]