Structure of PDB 7h1l Chain B Binding Site BS02

Receptor Information
>7h1l 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 IDA1AJM
InChIInChI=1S/C12H15FN2O/c13-10-4-2-9(3-5-10)12(11(14)16)6-1-7-15-8-12/h2-5,15H,1,6-8H2,(H2,14,16)/t12-/m1/s1
InChIKeyAQYHAXBZALQJNL-GFCCVEGCSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(N)C1(CCCNC1)c1ccc(F)cc1
CACTVS 3.385NC(=O)[C]1(CCCNC1)c2ccc(F)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@]2(CCCNC2)C(=O)N)F
CACTVS 3.385NC(=O)[C@@]1(CCCNC1)c2ccc(F)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1C2(CCCNC2)C(=O)N)F
FormulaC12 H15 F N2 O
Name(3S)-3-(4-fluorophenyl)piperidine-3-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7h1l Chain B Residue 203 [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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PDB7h1l PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.535 Å
Binding residue
(original residue number in PDB)		Y130 S135 G151 V155 Y161
Binding residue
(residue number reindexed from 1)		Y115 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:7h1l, PDBe:7h1l, PDBj:7h1l
PDBsum7h1l
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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