Structure of PDB 7ga2 Chain A Binding Site BS01
Receptor Information
>7ga2 Chain A (length=435) Species:
64320
(Zika virus) [
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MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEM
EEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLN
IMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSP
IMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKR
VIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKP
VILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDE
GHAHWLEARMLLDNIYLQDGLIASLYRPEADKVAAIEGEFKLRTEQRKTF
VELMKRGDLPVWLAYQVASAGITYTDRRWCFDGTTNNTIMEDSVPAEVWT
KYGEKRVLKPRWMDARVCSDHAALKSFKEFAAGKR
Ligand information
Ligand ID
YEK
InChI
InChI=1S/C8H15NO4S/c1-8(7(10)13-2)5-4-6-9(8)14(3,11)12/h4-6H2,1-3H3/t8-/m1/s1
InChIKey
APDJGJFQSBOQHM-MRVPVSSYSA-N
SMILES
Software
SMILES
CACTVS 3.385
COC(=O)[C@@]1(C)CCCN1[S](C)(=O)=O
OpenEye OEToolkits 2.0.7
CC1(CCCN1S(=O)(=O)C)C(=O)OC
OpenEye OEToolkits 2.0.7
C[C@@]1(CCCN1S(=O)(=O)C)C(=O)OC
CACTVS 3.385
COC(=O)[C]1(C)CCCN1[S](C)(=O)=O
ACDLabs 12.01
O=S(C)(=O)N1CCCC1(C)C(=O)OC
Formula
C8 H15 N O4 S
Name
methyl 1-(methanesulfonyl)-2-methyl-D-prolinate
ChEMBL
DrugBank
ZINC
PDB chain
7ga2 Chain A Residue 704 [
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Receptor-Ligand Complex Structure
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PDB
7ga2
PanDDA analysis group deposition
Resolution
2.034 Å
Binding residue
(original residue number in PDB)
S268 M536 K537
Binding residue
(residue number reindexed from 1)
S86 M354 K355
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:0004386
helicase activity
GO:0005524
ATP binding
View graph for
Molecular Function
External links
PDB
RCSB:7ga2
,
PDBe:7ga2
,
PDBj:7ga2
PDBsum
7ga2
PubMed
UniProt
Q32ZE1
|POLG_ZIKV Genome polyprotein
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