Structure of PDB 7h6y Chain A Binding Site BS01

Receptor Information
>7h6y Chain A (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 A Residue 211 [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)		D10 G32 V33 R144
Binding residue
(residue number reindexed from 1)		D13 G35 V36 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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