Structure of PDB 7h2q Chain B Binding Site BS01

Receptor Information
>7h2q 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 IDA1AKB
InChIInChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
InChIKeyXMFYMWXCIWIHAC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(C)C(=O)N1CCNCC1
ACDLabs 12.01O=C(N(C)C)N1CCNCC1
FormulaC7 H15 N3 O
NameN,N-dimethylpiperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7h2q 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

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PDB7h2q PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.526 Å
Binding residue
(original residue number in PDB)		D129 Y130 A132 Y161
Binding residue
(residue number reindexed from 1)		D114 Y115 A117 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:7h2q, PDBe:7h2q, PDBj:7h2q
PDBsum7h2q
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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