Structure of PDB 7zvv Chain A Binding Site BS01

Receptor Information
>7zvv Chain A (length=39) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLV
Ligand information
Ligand ID3CF
InChIInChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
InChIKeyZHUOMTMPTNZOJE-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](Cc1cccc(c1)C#N)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1cccc(C#N)c1
OpenEye OEToolkits 1.7.0c1cc(cc(c1)C#N)CC(C(=O)O)N
CACTVS 3.370N[CH](Cc1cccc(c1)C#N)C(O)=O
FormulaC10 H10 N2 O2
Name3-cyano-L-phenylalanine
ChEMBLCHEMBL1230101
DrugBank
ZINCZINC000002556575
PDB chain7zvv Chain B Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zvv Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2196
Resolution1.75 Å
Binding residue
(original residue number in PDB)
G82 D83
Binding residue
(residue number reindexed from 1)
G34 D35
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:0004252 serine-type endopeptidase activity
Cellular Component
GO:0044423 virion component

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Molecular Function

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Cellular Component
External links
PDB RCSB:7zvv, PDBe:7zvv, PDBj:7zvv
PDBsum7zvv
PubMed38809037
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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