Structure of PDB 7ga2 Chain A Binding Site BS01

Receptor Information
>7ga2 Chain A (length=435) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEM
EEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLN
IMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSP
IMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKR
VIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKP
VILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDE
GHAHWLEARMLLDNIYLQDGLIASLYRPEADKVAAIEGEFKLRTEQRKTF
VELMKRGDLPVWLAYQVASAGITYTDRRWCFDGTTNNTIMEDSVPAEVWT
KYGEKRVLKPRWMDARVCSDHAALKSFKEFAAGKR
Ligand information
Ligand IDYEK
InChIInChI=1S/C8H15NO4S/c1-8(7(10)13-2)5-4-6-9(8)14(3,11)12/h4-6H2,1-3H3/t8-/m1/s1
InChIKeyAPDJGJFQSBOQHM-MRVPVSSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)[C@@]1(C)CCCN1[S](C)(=O)=O
OpenEye OEToolkits 2.0.7CC1(CCCN1S(=O)(=O)C)C(=O)OC
OpenEye OEToolkits 2.0.7C[C@@]1(CCCN1S(=O)(=O)C)C(=O)OC
CACTVS 3.385COC(=O)[C]1(C)CCCN1[S](C)(=O)=O
ACDLabs 12.01O=S(C)(=O)N1CCCC1(C)C(=O)OC
FormulaC8 H15 N O4 S
Namemethyl 1-(methanesulfonyl)-2-methyl-D-prolinate
ChEMBL
DrugBank
ZINC
PDB chain7ga2 Chain A Residue 704 [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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PDB7ga2 PanDDA analysis group deposition
Resolution2.034 Å
Binding residue
(original residue number in PDB)
S268 M536 K537
Binding residue
(residue number reindexed from 1)
S86 M354 K355
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:0004386 helicase activity
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:7ga2, PDBe:7ga2, PDBj:7ga2
PDBsum7ga2
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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