Structure of PDB 7h2m Chain B Binding Site BS01

Receptor Information
>7h2m Chain B (length=154) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRL
DPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGI
FKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAI
TQGK
Ligand information
Ligand IDA1AJ8
InChIInChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
InChIKeyKXFXHXPKGLLUGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1cccc(c1)C(=O)N2CCNCC2
ACDLabs 12.01O=C(c1cccc(F)c1)N1CCNCC1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)C(=O)N2CCNCC2
FormulaC11 H13 F N2 O
Name(3-fluorophenyl)(piperazin-1-yl)methanone
ChEMBL
DrugBank
ZINC
PDB chain7h2m Chain B Residue 204 [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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PDB7h2m PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.712 Å
Binding residue
(original residue number in PDB)		W69 P82 W83 K169
Binding residue
(residue number reindexed from 1)		W54 P67 W68 K154
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:7h2m, PDBe:7h2m, PDBj:7h2m
PDBsum7h2m
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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