Structure of PDB 7h7l Chain A Binding Site BS02

Receptor Information
>7h7l 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 IDQ7L
InChIInChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
InChIKeyLOPAFWMOCZGHFX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cc(cc2OCOc12)c1cc[NH]n1
OpenEye OEToolkits 2.0.7c1cc2c(cc1c3cc[nH]n3)OCO2
CACTVS 3.385C1Oc2ccc(cc2O1)c3cc[nH]n3
FormulaC10 H8 N2 O2
Name(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole
ChEMBL
DrugBank
ZINCZINC000001390251
PDB chain7h7l Chain A Residue 210 [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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PDB7h7l Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.35 Å
Binding residue
(original residue number in PDB)		M9 D10 R144
Binding residue
(residue number reindexed from 1)		M12 D13 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:7h7l, PDBe:7h7l, PDBj:7h7l
PDBsum7h7l
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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