Structure of PDB 7h6y Chain C Binding Site BS01

Receptor Information
>7h6y Chain C (length=163) Species: 37124 (Chikungunya virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKN
SATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVT
RLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKE
WEKKISEAIQMRT
Ligand information
Ligand IDZ5C
InChIInChI=1S/C6H8N2O3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3,(H2,7,9)
InChIKeyXJISISZPFKFZEU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCc1cc(no1)C(=O)N
CACTVS 3.385COCc1onc(c1)C(N)=O
ACDLabs 12.01O=C(N)c1cc(COC)on1
FormulaC6 H8 N2 O3
Name5-(methoxymethyl)-1,2-oxazole-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000085222241
PDB chain7h6y Chain C Residue 202 [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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PDB7h6y Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.41 Å
Binding residue
(original residue number in PDB)		M9 V33 Y142 C143 R144
Binding residue
(residue number reindexed from 1)		M12 V36 Y145 C146 R147
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.7.7.-
2.7.7.19: polynucleotide adenylyltransferase.
2.7.7.48: RNA-directed RNA polymerase.
3.1.3.84: ADP-ribose 1''-phosphate phosphatase.
3.4.22.-
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.1.74: mRNA 5'-phosphatase.
3.6.4.13: RNA helicase.
External links
PDB RCSB:7h6y, PDBe:7h6y, PDBj:7h6y
PDBsum7h6y
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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