Structure of PDB 6t48 Chain A Binding Site BS01

Receptor Information
>6t48 Chain A (length=271) Species: 1330520 (Enterovirus F) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQVIKSAVRSTVENTVQSTHSITTEATPALQAAETGATSNASDESMIETR
NVVNTHGVAETSLEAFYGRAGLVAMFSTDGGIYRWYINFGEYVQLRAKLE
LLTYARFDMEFTIVAQVVNAQSKVQDFNVDYQVMFVPPGASVPENQDSYQ
WQSSCNPSVISNTGLPPARVSVPFMSSANAYSFSYDGYTQFGDTSGSSYG
IVPSNYLGMLVVRTCEDLDGTRLRVRVYAKPKHVKGWIPRSPRMTPYKSR
YTGVYTDTTKFCANRARITTA
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain6t48 Chain A Residue 301 [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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PDB6t48 Glutathione facilitates enterovirus assembly by binding at a druggable pocket.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		M247 T248 P249
Binding residue
(residue number reindexed from 1)		M244 T245 P246
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.
External links