Structure of PDB 7zvv Chain A Binding Site BS01
Receptor Information
>7zvv Chain A (length=39) Species:
64320
(Zika virus) [
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VDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLV
Ligand information
Ligand ID
3CF
InChI
InChI=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
InChIKey
ZHUOMTMPTNZOJE-VIFPVBQESA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N
CACTVS 3.370
N[C@@H](Cc1cccc(c1)C#N)C(O)=O
ACDLabs 12.01
O=C(O)C(N)Cc1cccc(C#N)c1
OpenEye OEToolkits 1.7.0
c1cc(cc(c1)C#N)CC(C(=O)O)N
CACTVS 3.370
N[CH](Cc1cccc(c1)C#N)C(O)=O
Formula
C10 H10 N2 O2
Name
3-cyano-L-phenylalanine
ChEMBL
CHEMBL1230101
DrugBank
ZINC
ZINC000002556575
PDB chain
7zvv Chain B Residue 205 [
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Receptor-Ligand Complex Structure
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PDB
7zvv
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2196
Resolution
1.75 Å
Binding residue
(original residue number in PDB)
G82 D83
Binding residue
(residue number reindexed from 1)
G34 D35
Annotation score
1
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
PDBsum
7zvv
PubMed
38809037
UniProt
Q32ZE1
|POLG_ZIKV Genome polyprotein
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