Structure of PDB 7h1l Chain B Binding Site BS01

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 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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PDB7h1l PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.535 Å
Binding residue
(original residue number in PDB)		T118 D120 G121 I123
Binding residue
(residue number reindexed from 1)		T103 D105 G106 I108
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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