Structure of PDB 6kwq Chain A Binding Site BS03

Receptor Information
>6kwq Chain A (length=462) Species: 39054 (Enterovirus A71) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEIQWVKPNKETGRLNINGPTRTKLEPSVFHDIFEGNKEPAVLHSKDPRL
EVDFEQALFSKYVGNTLHEPDEYIKEAALHYANQLKQLEINTSQMSMEEA
CYGTENLEAIDLHTSAGYPYSALGIKKRDILDPTTRDVSKMKFYMDKYGL
DLPYSTYVKDELRSIDKIKKGKSRLIEASSLNDSVYLRMAFGHLYEAFHA
NPGTITGSAVGCNPDTFWSKLPILLPGSLFAFDYSGYDASLSPVWFRALE
LVLREIGYSEEAVSLIEGINHTHHVYRNKTYCVLGGMPSGCSGTSIFNSM
INNIIIRALLIKTFKGIDLDELNMVAYGDDVLASYPFPIDCLELAKTGKE
YGLTMTPADKSPCFNEVNWGNATFLKRGFLPDEQFPFLIHPTMPMREIHE
SIRWTKDARNTQDHVRSLCLLAWHNGKQEYEKFVSTIRSVPVGRALAIPN
YENLRRNWLELF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6kwq Chain A Residue 503 [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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PDB6kwq A nucleobase-binding pocket in a viral RNA-dependent RNA polymerase contributes to elongation complex stability.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		H271 H273 C282
Binding residue
(residue number reindexed from 1)		H271 H273 C282
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0006351 DNA-templated transcription
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6kwq, PDBe:6kwq, PDBj:6kwq
PDBsum6kwq
PubMed31863580
UniProtM4QLY4

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